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Compile Data Set for Download or QSAR

Found 802 hits with Last Name = 'sickmier' and Initial = 'ea'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50351929
PNG
(CHEMBL1821820)
Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(H2,27,29)(H,28,30)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.650n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by FRET assay


J Med Chem 54: 5836-57 (2011)


Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50351935
PNG
(CHEMBL1821728)
Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)N[C@@H]1CCOC(C)(C)C1
Show InChI InChI=1S/C27H33N3O2/c1-17-7-5-6-8-23(17)19-9-10-24-20(14-19)15-21(25(28)30-24)13-18(2)26(31)29-22-11-12-32-27(3,4)16-22/h5-10,14-15,18,22H,11-13,16H2,1-4H3,(H2,28,30)(H,29,31)/t18-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by FRET assay


J Med Chem 54: 5836-57 (2011)


Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-secretase 1


(Homo sapiens (Human))
BDBM50172100
PNG
(CHEMBL3809870)
Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1
Show InChI InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 expressed in HEK293 cells using peptide sequence EVNLAAEF as substrate preincubated for 60 mins followed by sub...


J Med Chem 59: 3732-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115603
PNG
(CHEMBL3609245)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C179H280N54O47S7/c1-13-91(5)136-169(273)217-122(77-135(244)245)160(264)231-141(97(11)240)173(277)229-137(92(6)14-2)174(278)233-69-36-53-132(233)168(272)210-109(48-25-29-63-182)148(252)215-120(75-102-43-31-42-101-41-21-22-44-105(101)102)158(262)205-113(52-35-68-198-179(192)193)150(254)222-130-87-285-284-85-128-165(269)207-111(50-33-66-196-177(188)189)145(249)203-110(49-26-30-64-183)153(257)230-140(96(10)239)172(276)225-126(144(248)199-79-134(243)227-138(94(8)237)171(275)226-131(175(279)280)88-287-286-86-129(166(270)228-136)224-163(267)123(80-234)218-143(247)106(184)45-32-65-195-176(186)187)83-282-283-84-127(221-151(255)114(58-59-133(185)242)208-155(259)117(72-98-37-17-15-18-38-98)211-142(246)93(7)201-170(274)139(95(9)238)232-167(130)271)164(268)206-108(47-24-28-62-181)147(251)216-121(76-103-78-194-89-200-103)159(263)220-124(81-235)161(265)209-115(60-70-281-12)152(256)202-107(46-23-27-61-180)146(250)213-119(74-100-54-56-104(241)57-55-100)156(260)204-112(51-34-67-197-178(190)191)149(253)212-116(71-90(3)4)154(258)219-125(82-236)162(266)214-118(157(261)223-128)73-99-39-19-16-20-40-99/h15-22,31,37-44,54-57,78,89-97,106-132,136-141,234-241H,13-14,23-30,32-36,45-53,58-77,79-88,180-184H2,1-12H3,(H2,185,242)(H,194,200)(H,199,248)(H,201,274)(H,202,256)(H,203,249)(H,204,260)(H,205,262)(H,206,268)(H,207,269)(H,208,259)(H,209,265)(H,210,272)(H,211,246)(H,212,253)(H,213,250)(H,214,266)(H,215,252)(H,216,251)(H,217,273)(H,218,247)(H,219,258)(H,220,263)(H,221,255)(H,222,254)(H,223,261)(H,224,267)(H,225,276)(H,226,275)(H,227,243)(H,228,270)(H,229,277)(H,230,257)(H,231,264)(H,232,271)(H,244,245)(H,279,280)(H4,186,187,195)(H4,188,189,196)(H4,190,191,197)(H4,192,193,198)/t91-,92-,93-,94+,95+,96+,97+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,136-,137-,138-,139-,140-,141-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392770
PNG
(CHEMBL2151243)
Show SMILES CC(=O)N[C@@H](Cc1ccc(C)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H40FN3O3/c1-18-7-8-20(12-23(18)30)13-24(33-19(2)34)26(35)17-31-25-15-29(9-6-10-29)36-27-22(25)11-21(16-32-27)14-28(3,4)5/h7-8,11-12,16,24-26,31,35H,6,9-10,13-15,17H2,1-5H3,(H,33,34)/t24-,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.990n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383838
PNG
(CHEMBL2030996)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-7-5-8-21(29)11-19)25(34)17-30-24-15-28(9-6-10-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,30,34H,6,9-10,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115776
PNG
(CHEMBL3609037)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C172H281N57O47S7/c1-13-86(5)128-161(269)213-114(72-127(240)241)152(260)227-133(92(11)236)165(273)225-129(87(6)14-2)166(274)229-65-34-48-124(229)160(268)207-101(42-23-27-58-175)141(249)214-115(75-230)153(261)202-106(47-33-64-194-172(187)188)143(251)219-122-82-281-280-80-120-157(265)204-104(45-31-62-192-170(183)184)137(245)200-102(43-24-28-59-176)146(254)226-132(91(10)235)164(272)221-118(136(244)195-74-126(239)223-130(89(8)233)163(271)222-123(167(275)276)83-283-282-81-121(158(266)224-128)218-142(250)103(44-30-61-191-169(181)182)198-135(243)98(177)39-29-60-190-168(179)180)78-278-279-79-119(217-144(252)107(53-54-125(178)238)205-148(256)110(68-93-35-17-15-18-36-93)208-134(242)88(7)197-162(270)131(90(9)234)228-159(122)267)156(264)203-100(41-22-26-57-174)139(247)212-113(71-96-73-189-84-196-96)151(259)216-116(76-231)154(262)206-108(55-66-277-12)145(253)199-99(40-21-25-56-173)138(246)210-112(70-95-49-51-97(237)52-50-95)149(257)201-105(46-32-63-193-171(185)186)140(248)209-109(67-85(3)4)147(255)215-117(77-232)155(263)211-111(150(258)220-120)69-94-37-19-16-20-38-94/h15-20,35-38,49-52,73,84-92,98-124,128-133,230-237H,13-14,21-34,39-48,53-72,74-83,173-177H2,1-12H3,(H2,178,238)(H,189,196)(H,195,244)(H,197,270)(H,198,243)(H,199,253)(H,200,245)(H,201,257)(H,202,261)(H,203,264)(H,204,265)(H,205,256)(H,206,262)(H,207,268)(H,208,242)(H,209,248)(H,210,246)(H,211,263)(H,212,247)(H,213,269)(H,214,249)(H,215,255)(H,216,259)(H,217,252)(H,218,250)(H,219,251)(H,220,258)(H,221,272)(H,222,271)(H,223,239)(H,224,266)(H,225,273)(H,226,254)(H,227,260)(H,228,267)(H,240,241)(H,275,276)(H4,179,180,190)(H4,181,182,191)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t86-,87-,88-,89+,90+,91+,92+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,128-,129-,130-,131-,132-,133-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115589
PNG
(CHEMBL3609232)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C169H274N54O47S7/c1-14-84(5)126-159(263)207-112(70-125(234)235)150(254)221-131(91(12)230)163(267)219-127(85(6)15-2)164(268)223-63-34-47-122(223)158(262)201-100(42-24-28-57-172)140(244)209-114(74-225)151(255)196-104(46-33-62-188-169(182)183)141(245)212-120-80-275-274-78-118-155(259)198-102(44-31-60-186-167(178)179)136(240)194-101(43-25-29-58-173)144(248)220-130(90(11)229)162(266)215-116(135(239)189-72-124(233)217-128(88(9)227)161(265)216-121(165(269)270)81-277-276-79-119(156(260)218-126)214-153(257)113(73-224)208-134(238)97(174)39-30-59-185-166(176)177)76-272-273-77-117(211-142(246)105(52-53-123(175)232)199-146(250)108(66-92-35-18-16-19-36-92)202-133(237)87(8)192-160(264)129(89(10)228)222-157(120)261)154(258)197-99(41-23-27-56-171)138(242)206-111(69-95-71-184-82-190-95)149(253)210-115(75-226)152(256)200-106(54-64-271-13)143(247)193-98(40-22-26-55-170)137(241)205-110(68-94-48-50-96(231)51-49-94)147(251)195-103(45-32-61-187-168(180)181)139(243)204-107(65-83(3)4)145(249)191-86(7)132(236)203-109(148(252)213-118)67-93-37-20-17-21-38-93/h16-21,35-38,48-51,71,82-91,97-122,126-131,224-231H,14-15,22-34,39-47,52-70,72-81,170-174H2,1-13H3,(H2,175,232)(H,184,190)(H,189,239)(H,191,249)(H,192,264)(H,193,247)(H,194,240)(H,195,251)(H,196,255)(H,197,258)(H,198,259)(H,199,250)(H,200,256)(H,201,262)(H,202,237)(H,203,236)(H,204,243)(H,205,241)(H,206,242)(H,207,263)(H,208,238)(H,209,244)(H,210,253)(H,211,246)(H,212,245)(H,213,252)(H,214,257)(H,215,266)(H,216,265)(H,217,233)(H,218,260)(H,219,267)(H,220,248)(H,221,254)(H,222,261)(H,234,235)(H,269,270)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t84-,85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115569
PNG
(CHEMBL3609231)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C166H268N54O48S7/c1-12-81(3)123-156(261)203-108(67-122(232)233)146(251)218-128(88(10)228)160(265)216-124(82(4)13-2)161(266)220-61-32-45-119(220)155(260)198-97(40-22-26-55-169)137(242)206-111(72-223)147(252)193-101(44-31-60-185-166(179)180)138(243)209-117-78-273-272-76-115-152(257)195-100(43-30-59-184-165(177)178)134(239)191-98(41-23-27-56-170)141(246)217-127(87(9)227)159(264)212-113(132(237)186-69-121(231)214-125(85(7)225)158(263)213-118(162(267)268)79-275-274-77-116(153(258)215-123)211-150(255)110(71-222)205-131(236)94(171)37-28-57-182-163(173)174)74-270-271-75-114(208-139(244)102(50-51-120(172)230)196-142(247)104(63-89-33-16-14-17-34-89)199-129(234)84(6)189-157(262)126(86(8)226)219-154(117)259)151(256)194-96(39-21-25-54-168)136(241)202-107(66-92-68-181-80-187-92)145(250)207-112(73-224)148(253)197-103(52-62-269-11)140(245)190-95(38-20-24-53-167)135(240)200-106(65-91-46-48-93(229)49-47-91)143(248)192-99(42-29-58-183-164(175)176)133(238)188-83(5)130(235)204-109(70-221)149(254)201-105(144(249)210-115)64-90-35-18-15-19-36-90/h14-19,33-36,46-49,68,80-88,94-119,123-128,221-229H,12-13,20-32,37-45,50-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,238)(H,189,262)(H,190,245)(H,191,239)(H,192,248)(H,193,252)(H,194,256)(H,195,257)(H,196,247)(H,197,253)(H,198,260)(H,199,234)(H,200,240)(H,201,254)(H,202,241)(H,203,261)(H,204,235)(H,205,236)(H,206,242)(H,207,250)(H,208,244)(H,209,243)(H,210,249)(H,211,255)(H,212,264)(H,213,263)(H,214,231)(H,215,258)(H,216,265)(H,217,246)(H,218,251)(H,219,259)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t81-,82-,83-,84-,85+,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,123-,124-,125-,126-,127-,128-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115508
PNG
(CHEMBL3609227)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C167H270N54O48S6/c1-13-82(5)124-157(262)204-109(67-123(233)234)147(252)219-129(89(12)229)161(266)217-125(83(6)14-2)162(267)221-61-33-46-120(221)156(261)198-98(41-23-27-55-170)138(243)206-112(72-224)149(254)194-102(45-32-60-186-167(180)181)139(244)210-118-78-273-272-76-116-153(258)196-100(43-30-58-184-165(176)177)134(239)192-99(42-24-28-56-171)141(246)218-128(88(11)228)160(265)213-114(133(238)187-69-122(232)215-126(86(9)226)159(264)214-119(163(268)269)79-275-274-77-117(154(259)216-124)212-151(256)111(71-223)205-132(237)95(172)38-29-57-183-164(174)175)74-270-271-75-115(209-140(245)103(51-52-121(173)231)197-143(248)105(63-90-34-17-15-18-35-90)199-131(236)85(8)190-158(263)127(87(10)227)220-155(118)260)152(257)195-97(40-22-26-54-169)136(241)203-108(66-93-68-182-80-188-93)146(251)207-110(70-222)148(253)189-84(7)130(235)191-96(39-21-25-53-168)135(240)201-107(65-92-47-49-94(230)50-48-92)144(249)193-101(44-31-59-185-166(178)179)137(242)200-104(62-81(3)4)142(247)208-113(73-225)150(255)202-106(145(250)211-116)64-91-36-19-16-20-37-91/h15-20,34-37,47-50,68,80-89,95-120,124-129,222-230H,13-14,21-33,38-46,51-67,69-79,168-172H2,1-12H3,(H2,173,231)(H,182,188)(H,187,238)(H,189,253)(H,190,263)(H,191,235)(H,192,239)(H,193,249)(H,194,254)(H,195,257)(H,196,258)(H,197,248)(H,198,261)(H,199,236)(H,200,242)(H,201,240)(H,202,255)(H,203,241)(H,204,262)(H,205,237)(H,206,243)(H,207,251)(H,208,247)(H,209,245)(H,210,244)(H,211,250)(H,212,256)(H,213,265)(H,214,264)(H,215,232)(H,216,259)(H,217,266)(H,218,246)(H,219,252)(H,220,260)(H,233,234)(H,268,269)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/t82-,83-,84-,85-,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,124-,125-,126-,127-,128-,129-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115676
PNG
(CHEMBL3609265)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C171H276N54O49S7/c1-13-85(5)128-161(267)209-113(71-127(238)239)152(258)223-133(91(11)232)165(271)221-129(86(6)14-2)166(272)225-64-33-46-123(225)160(266)203-100(41-23-27-58-174)141(247)210-114(74-226)153(259)198-104(45-32-63-190-171(184)185)142(248)214-121-81-279-278-79-119-157(263)200-102(43-30-61-188-169(180)181)137(243)196-101(42-24-28-59-175)146(252)222-132(90(10)231)164(270)217-117(136(242)191-73-125(235)219-130(88(8)229)163(269)218-122(167(273)274)82-281-280-80-120(158(264)220-128)215-144(250)106(52-54-126(236)237)194-135(241)97(176)38-29-60-187-168(178)179)77-276-277-78-118(213-143(249)105(51-53-124(177)234)201-148(254)109(67-92-34-17-15-18-35-92)204-134(240)87(7)193-162(268)131(89(9)230)224-159(121)265)156(262)199-99(40-22-26-57-173)139(245)208-112(70-95-72-186-83-192-95)151(257)212-115(75-227)154(260)202-107(55-65-275-12)145(251)195-98(39-21-25-56-172)138(244)206-111(69-94-47-49-96(233)50-48-94)149(255)197-103(44-31-62-189-170(182)183)140(246)205-108(66-84(3)4)147(253)211-116(76-228)155(261)207-110(150(256)216-119)68-93-36-19-16-20-37-93/h15-20,34-37,47-50,72,83-91,97-123,128-133,226-233H,13-14,21-33,38-46,51-71,73-82,172-176H2,1-12H3,(H2,177,234)(H,186,192)(H,191,242)(H,193,268)(H,194,241)(H,195,251)(H,196,243)(H,197,255)(H,198,259)(H,199,262)(H,200,263)(H,201,254)(H,202,260)(H,203,266)(H,204,240)(H,205,246)(H,206,244)(H,207,261)(H,208,245)(H,209,267)(H,210,247)(H,211,253)(H,212,257)(H,213,249)(H,214,248)(H,215,250)(H,216,256)(H,217,270)(H,218,269)(H,219,235)(H,220,264)(H,221,271)(H,222,252)(H,223,258)(H,224,265)(H,236,237)(H,238,239)(H,273,274)(H4,178,179,187)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,131-,132-,133-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115637
PNG
(CHEMBL3609074)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C169H279N53O48S7/c1-13-85(5)126-159(263)205-111(72-125(234)235)149(253)220-131(91(11)230)163(267)218-127(86(6)14-2)164(268)222-66-35-49-122(222)158(262)200-100(44-24-29-60-173)140(244)208-113(75-224)150(254)195-104(48-34-65-188-169(183)184)141(245)211-120-82-275-274-80-118-155(259)197-102(46-32-63-186-167(179)180)136(240)193-101(45-25-30-61-174)144(248)219-130(90(10)229)162(266)214-116(134(238)189-73-124(233)216-128(88(8)227)161(265)215-121(165(269)270)83-277-276-81-119(156(260)217-126)213-153(257)112(74-223)206-133(237)96(175)40-31-62-185-166(177)178)78-272-273-79-117(210-142(246)105(54-55-123(176)232)198-146(250)108(69-92-36-17-15-18-37-92)201-132(236)87(7)190-160(264)129(89(9)228)221-157(120)261)154(258)196-97(41-21-26-57-170)135(239)191-99(43-23-28-59-172)139(243)207-114(76-225)151(255)199-106(56-67-271-12)143(247)192-98(42-22-27-58-171)137(241)203-110(71-94-50-52-95(231)53-51-94)147(251)194-103(47-33-64-187-168(181)182)138(242)202-107(68-84(3)4)145(249)209-115(77-226)152(256)204-109(148(252)212-118)70-93-38-19-16-20-39-93/h15-20,36-39,50-53,84-91,96-122,126-131,223-231H,13-14,21-35,40-49,54-83,170-175H2,1-12H3,(H2,176,232)(H,189,238)(H,190,264)(H,191,239)(H,192,247)(H,193,240)(H,194,251)(H,195,254)(H,196,258)(H,197,259)(H,198,250)(H,199,255)(H,200,262)(H,201,236)(H,202,242)(H,203,241)(H,204,256)(H,205,263)(H,206,237)(H,207,243)(H,208,244)(H,209,249)(H,210,246)(H,211,245)(H,212,252)(H,213,257)(H,214,266)(H,215,265)(H,216,233)(H,217,260)(H,218,267)(H,219,248)(H,220,253)(H,221,261)(H,234,235)(H,269,270)(H4,177,178,185)(H4,179,180,186)(H4,181,182,187)(H4,183,184,188)/t85-,86-,87-,88+,89+,90+,91+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115792
PNG
(CHEMBL3609045)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C181H287N57O46S7/c1-12-93(5)137-170(277)221-122(77-103-43-30-42-102-41-20-21-44-106(102)103)160(267)236-142(98(10)246)174(281)234-138(94(6)13-2)175(282)238-71-36-54-134(238)169(276)214-110(48-24-28-64-184)150(257)223-125(82-240)161(268)209-114(52-34-69-202-180(194)195)151(258)227-132-89-289-288-87-130-166(273)211-112(50-32-67-200-178(190)191)145(252)207-111(49-25-29-65-185)154(261)235-141(97(9)245)173(280)230-128(144(251)204-80-136(249)232-139(95(7)243)171(278)231-133(176(283)284)90-291-290-88-131(167(274)233-137)229-164(271)124(81-239)222-143(250)107(186)45-31-66-199-177(188)189)85-286-287-86-129(226-152(259)116(59-60-135(187)248)212-157(264)119(74-99-37-16-14-17-38-99)217-149(256)115(53-35-70-203-181(196)197)215-172(279)140(96(8)244)237-168(132)275)165(272)210-109(47-23-27-63-183)147(254)220-123(78-104-79-198-91-205-104)159(266)225-126(83-241)162(269)213-117(61-72-285-11)153(260)206-108(46-22-26-62-182)146(253)218-121(76-101-55-57-105(247)58-56-101)156(263)208-113(51-33-68-201-179(192)193)148(255)216-118(73-92(3)4)155(262)224-127(84-242)163(270)219-120(158(265)228-130)75-100-39-18-15-19-40-100/h14-21,30,37-44,55-58,79,91-98,107-134,137-142,239-247H,12-13,22-29,31-36,45-54,59-78,80-90,182-186H2,1-11H3,(H2,187,248)(H,198,205)(H,204,251)(H,206,260)(H,207,252)(H,208,263)(H,209,268)(H,210,272)(H,211,273)(H,212,264)(H,213,269)(H,214,276)(H,215,279)(H,216,255)(H,217,256)(H,218,253)(H,219,270)(H,220,254)(H,221,277)(H,222,250)(H,223,257)(H,224,262)(H,225,266)(H,226,259)(H,227,258)(H,228,265)(H,229,271)(H,230,280)(H,231,278)(H,232,249)(H,233,274)(H,234,281)(H,235,261)(H,236,267)(H,237,275)(H,283,284)(H4,188,189,199)(H4,190,191,200)(H4,192,193,201)(H4,194,195,202)(H4,196,197,203)/t93-,94-,95+,96+,97+,98+,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,137-,138-,139-,140-,141-,142-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115699
PNG
(CHEMBL3609032)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C168H269N51O50S7/c1-13-83(5)126-159(262)202-110(68-125(233)234)149(252)217-131(89(11)227)163(266)215-127(84(6)14-2)164(267)219-61-32-44-121(219)158(261)196-98(40-23-27-56-171)138(241)204-112(72-221)150(253)191-101(43-31-60-184-168(179)180)139(242)208-119-79-274-273-77-117-155(258)194-103(50-52-124(231)232)140(243)189-99(41-24-28-57-172)143(246)216-130(88(10)226)162(265)211-115(134(237)185-70-123(230)213-128(86(8)224)161(264)212-120(165(268)269)80-276-275-78-118(156(259)214-126)210-153(256)111(71-220)203-133(236)95(173)37-29-58-182-166(175)176)75-271-272-76-116(207-141(244)102(49-51-122(174)229)193-145(248)106(64-90-33-17-15-18-34-90)197-132(235)85(7)187-160(263)129(87(9)225)218-157(119)260)154(257)192-97(39-22-26-55-170)136(239)201-109(67-93-69-181-81-186-93)148(251)206-113(73-222)151(254)195-104(53-62-270-12)142(245)188-96(38-21-25-54-169)135(238)199-108(66-92-45-47-94(228)48-46-92)146(249)190-100(42-30-59-183-167(177)178)137(240)198-105(63-82(3)4)144(247)205-114(74-223)152(255)200-107(147(250)209-117)65-91-35-19-16-20-36-91/h15-20,33-36,45-48,69,81-89,95-121,126-131,220-228H,13-14,21-32,37-44,49-68,70-80,169-173H2,1-12H3,(H2,174,229)(H,181,186)(H,185,237)(H,187,263)(H,188,245)(H,189,243)(H,190,249)(H,191,253)(H,192,257)(H,193,248)(H,194,258)(H,195,254)(H,196,261)(H,197,235)(H,198,240)(H,199,238)(H,200,255)(H,201,239)(H,202,262)(H,203,236)(H,204,241)(H,205,247)(H,206,251)(H,207,244)(H,208,242)(H,209,250)(H,210,256)(H,211,265)(H,212,264)(H,213,230)(H,214,259)(H,215,266)(H,216,246)(H,217,252)(H,218,260)(H,231,232)(H,233,234)(H,268,269)(H4,175,176,182)(H4,177,178,183)(H4,179,180,184)/t83-,84-,85-,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,126-,127-,128-,129-,130-,131-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50383838
PNG
(CHEMBL2030996)
Show SMILES CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-19-7-5-8-21(29)11-19)25(34)17-30-24-15-28(9-6-10-28)35-26-22(24)12-20(16-31-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,30,34H,6,9-10,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by cells based assay


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115804
PNG
(CHEMBL3609055)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C169H275N57O48S7/c1-11-83(3)125-158(267)209-110(69-124(238)239)148(257)224-130(89(9)234)162(271)222-126(84(4)12-2)163(272)226-63-32-46-121(226)157(266)204-98(40-21-25-56-172)138(247)211-112(73-228)149(258)199-103(45-31-62-191-169(184)185)140(249)215-119-80-279-278-78-117-154(263)201-101(43-29-60-189-167(180)181)135(244)196-99(41-22-26-57-173)143(252)223-129(88(8)233)161(270)218-115(133(242)192-71-123(237)220-127(86(6)231)160(269)219-120(164(273)274)81-281-280-79-118(155(264)221-125)217-152(261)111(72-227)210-132(241)95(174)37-27-58-187-165(176)177)76-276-277-77-116(214-141(250)104(51-52-122(175)236)202-144(253)106(65-90-33-15-13-16-34-90)205-131(240)85(5)194-159(268)128(87(7)232)225-156(119)265)153(262)200-97(39-20-24-55-171)137(246)208-109(68-93-70-186-82-193-93)147(256)213-113(74-229)150(259)203-105(53-64-275-10)142(251)195-96(38-19-23-54-170)136(245)206-108(67-92-47-49-94(235)50-48-92)145(254)198-100(42-28-59-188-166(178)179)134(243)197-102(44-30-61-190-168(182)183)139(248)212-114(75-230)151(260)207-107(146(255)216-117)66-91-35-17-14-18-36-91/h13-18,33-36,47-50,70,82-89,95-121,125-130,227-235H,11-12,19-32,37-46,51-69,71-81,170-174H2,1-10H3,(H2,175,236)(H,186,193)(H,192,242)(H,194,268)(H,195,251)(H,196,244)(H,197,243)(H,198,254)(H,199,258)(H,200,262)(H,201,263)(H,202,253)(H,203,259)(H,204,266)(H,205,240)(H,206,245)(H,207,260)(H,208,246)(H,209,267)(H,210,241)(H,211,247)(H,212,248)(H,213,256)(H,214,250)(H,215,249)(H,216,255)(H,217,261)(H,218,270)(H,219,269)(H,220,237)(H,221,264)(H,222,271)(H,223,252)(H,224,257)(H,225,265)(H,238,239)(H,273,274)(H4,176,177,187)(H4,178,179,188)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)/t83-,84-,85-,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,125-,126-,127-,128-,129-,130-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50397708
PNG
(CHEMBL2181906)
Show SMILES COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C31H40FN3O4/c1-6-20-10-21(12-23(32)11-20)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(8-7-9-31)39-29-24(26)13-22(17-34-29)15-30(2,3)4/h1,10-13,17,25-27,33,36H,7-9,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9025-44 (2012)


Article DOI: 10.1021/jm300118s
BindingDB Entry DOI: 10.7270/Q298885R
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50397712
PNG
(CHEMBL2181902)
Show SMILES COCC(=O)N[C@@H](Cc1cc(F)cc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C32H41FN4O4S/c1-31(2,3)15-21-12-24-26(16-32(6-5-7-32)41-29(24)36-17-21)35-18-27(38)25(37-28(39)19-40-4)13-20-10-22(14-23(33)11-20)30-34-8-9-42-30/h8-12,14,17,25-27,35,38H,5-7,13,15-16,18-19H2,1-4H3,(H,37,39)/t25-,26-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9025-44 (2012)


Article DOI: 10.1021/jm300118s
BindingDB Entry DOI: 10.7270/Q298885R
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392782
PNG
(CHEMBL2151237)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(12-18-6-7-21(29)22(30)11-18)25(35)16-31-24-14-28(8-5-9-28)36-26-20(24)10-19(15-32-26)13-27(2,3)4/h6-7,10-11,15,23-25,31,35H,5,8-9,12-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115501
PNG
(CHEMBL3609220)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C166H267N51O48S7/c1-14-82(5)124-157(258)200-109(67-123(229)230)147(248)215-129(89(12)225)161(262)213-125(83(6)15-2)162(263)217-60-33-45-120(217)156(257)194-98(41-24-28-55-169)138(239)202-110(70-218)148(249)185-84(7)131(232)205-117-77-270-269-76-116-153(254)191-100(43-31-58-181-165(175)176)134(235)188-99(42-25-29-56-170)141(242)214-128(88(11)224)160(261)209-114(133(234)183-69-122(228)211-126(86(9)222)159(260)210-119(163(264)265)79-272-271-78-118(154(255)212-124)208-151(252)111(71-219)201-132(233)95(171)38-30-57-180-164(173)174)74-267-268-75-115(206-139(240)102(50-51-121(172)227)192-143(244)105(63-90-34-18-16-19-35-90)195-130(231)85(8)186-158(259)127(87(10)223)216-155(117)256)152(253)190-97(40-23-27-54-168)136(237)199-108(66-93-68-179-80-184-93)146(247)204-112(72-220)149(250)193-103(52-61-266-13)140(241)187-96(39-22-26-53-167)135(236)197-107(65-92-46-48-94(226)49-47-92)144(245)189-101(44-32-59-182-166(177)178)137(238)196-104(62-81(3)4)142(243)203-113(73-221)150(251)198-106(145(246)207-116)64-91-36-20-17-21-37-91/h16-21,34-37,46-49,68,80-89,95-120,124-129,218-226H,14-15,22-33,38-45,50-67,69-79,167-171H2,1-13H3,(H2,172,227)(H,179,184)(H,183,234)(H,185,249)(H,186,259)(H,187,241)(H,188,235)(H,189,245)(H,190,253)(H,191,254)(H,192,244)(H,193,250)(H,194,257)(H,195,231)(H,196,238)(H,197,236)(H,198,251)(H,199,237)(H,200,258)(H,201,233)(H,202,239)(H,203,243)(H,204,247)(H,205,232)(H,206,240)(H,207,246)(H,208,252)(H,209,261)(H,210,260)(H,211,228)(H,212,255)(H,213,262)(H,214,242)(H,215,248)(H,216,256)(H,229,230)(H,264,265)(H4,173,174,180)(H4,175,176,181)(H4,177,178,182)/t82-,83-,84-,85-,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,124-,125-,126-,127-,128-,129-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115813
PNG
(CHEMBL3609061)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C171H279N57O47S7/c1-12-86(5)128-161(269)212-113(71-127(239)240)151(259)226-132(91(10)235)164(272)224-129(87(6)13-2)165(273)228-64-33-47-124(228)160(268)206-101(41-22-26-57-174)141(249)214-115(75-230)152(260)201-105(46-32-63-193-171(186)187)142(250)218-122-82-280-279-80-120-157(265)203-103(44-30-61-191-169(182)183)137(245)199-102(42-23-27-58-175)145(253)225-131(90(9)234)163(271)221-118(135(243)194-73-126(238)197-98(43-29-60-190-168(180)181)136(244)222-123(166(274)275)83-282-281-81-121(158(266)223-128)220-155(263)114(74-229)213-134(242)97(176)38-28-59-189-167(178)179)78-277-278-79-119(217-143(251)106(52-53-125(177)237)204-147(255)109(67-92-34-16-14-17-35-92)207-133(241)88(7)196-162(270)130(89(8)233)227-159(122)267)156(264)202-100(40-21-25-56-173)139(247)211-112(70-95-72-188-84-195-95)150(258)216-116(76-231)153(261)205-107(54-65-276-11)144(252)198-99(39-20-24-55-172)138(246)209-111(69-94-48-50-96(236)51-49-94)148(256)200-104(45-31-62-192-170(184)185)140(248)208-108(66-85(3)4)146(254)215-117(77-232)154(262)210-110(149(257)219-120)68-93-36-18-15-19-37-93/h14-19,34-37,48-51,72,84-91,97-124,128-132,229-236H,12-13,20-33,38-47,52-71,73-83,172-176H2,1-11H3,(H2,177,237)(H,188,195)(H,194,243)(H,196,270)(H,197,238)(H,198,252)(H,199,245)(H,200,256)(H,201,260)(H,202,264)(H,203,265)(H,204,255)(H,205,261)(H,206,268)(H,207,241)(H,208,248)(H,209,246)(H,210,262)(H,211,247)(H,212,269)(H,213,242)(H,214,249)(H,215,254)(H,216,258)(H,217,251)(H,218,250)(H,219,257)(H,220,263)(H,221,271)(H,222,244)(H,223,266)(H,224,272)(H,225,253)(H,226,259)(H,227,267)(H,239,240)(H,274,275)(H4,178,179,189)(H4,180,181,190)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)/t86-,87-,88-,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,128-,129-,130-,131-,132-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115638
PNG
(CHEMBL3609075)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C172H281N55O47S7/c1-13-87(5)129-162(267)211-115(73-128(238)239)153(258)225-134(93(11)234)166(271)223-130(88(6)14-2)167(272)227-66-35-49-125(227)161(266)205-103(44-24-29-60-176)143(248)213-117(77-229)154(259)200-107(48-34-65-192-172(186)187)144(249)216-123-83-279-278-81-121-158(263)202-105(46-32-63-190-170(182)183)139(244)197-104(45-25-30-61-177)147(252)224-133(92(10)233)165(270)219-119(137(242)193-75-127(237)221-131(90(8)231)164(269)220-124(168(273)274)84-281-280-82-122(159(264)222-129)218-156(261)116(76-228)212-136(241)99(178)40-31-62-189-169(180)181)79-276-277-80-120(215-145(250)108(54-55-126(179)236)203-149(254)111(69-94-36-17-15-18-37-94)206-135(240)89(7)195-163(268)132(91(9)232)226-160(123)265)157(262)201-102(43-23-28-59-175)141(246)210-114(72-97-74-188-85-194-97)152(257)198-100(41-21-26-57-173)138(243)204-109(56-67-275-12)146(251)196-101(42-22-27-58-174)140(245)208-113(71-96-50-52-98(235)53-51-96)150(255)199-106(47-33-64-191-171(184)185)142(247)207-110(68-86(3)4)148(253)214-118(78-230)155(260)209-112(151(256)217-121)70-95-38-19-16-20-39-95/h15-20,36-39,50-53,74,85-93,99-125,129-134,228-235H,13-14,21-35,40-49,54-73,75-84,173-178H2,1-12H3,(H2,179,236)(H,188,194)(H,193,242)(H,195,268)(H,196,251)(H,197,244)(H,198,257)(H,199,255)(H,200,259)(H,201,262)(H,202,263)(H,203,254)(H,204,243)(H,205,266)(H,206,240)(H,207,247)(H,208,245)(H,209,260)(H,210,246)(H,211,267)(H,212,241)(H,213,248)(H,214,253)(H,215,250)(H,216,249)(H,217,256)(H,218,261)(H,219,270)(H,220,269)(H,221,237)(H,222,264)(H,223,271)(H,224,252)(H,225,258)(H,226,265)(H,238,239)(H,273,274)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t87-,88-,89-,90+,91+,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,129-,130-,131-,132-,133-,134-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392785
PNG
(CHEMBL2151240)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)c(OC(F)(F)F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H37F4N3O4/c1-17(37)36-22(11-18-6-7-21(30)25(12-18)39-29(31,32)33)24(38)16-34-23-14-28(8-5-9-28)40-26-20(23)10-19(15-35-26)13-27(2,3)4/h6-7,10,12,15,22-24,34,38H,5,8-9,11,13-14,16H2,1-4H3,(H,36,37)/t22-,23-,24+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392770
PNG
(CHEMBL2151243)
Show SMILES CC(=O)N[C@@H](Cc1ccc(C)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H40FN3O3/c1-18-7-8-20(12-23(18)30)13-24(33-19(2)34)26(35)17-31-25-15-29(9-6-10-29)36-27-22(25)11-21(16-32-27)14-28(3,4)5/h7-8,11-12,16,24-26,31,35H,6,9-10,13-15,17H2,1-5H3,(H,33,34)/t24-,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by cells based assay


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115504
PNG
(CHEMBL3609223)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C167H271N53O47S7/c1-14-83(5)124-157(260)203-110(68-123(231)232)147(250)218-129(90(12)228)161(264)216-125(84(6)15-2)162(265)220-61-34-47-121(220)156(259)197-99(42-24-28-55-170)138(241)205-112(72-222)148(251)193-103(46-33-60-185-167(179)180)139(242)209-119-79-272-271-77-117-153(256)195-101(44-31-58-183-165(175)176)134(237)191-100(43-25-29-56-171)141(244)217-128(89(11)227)160(263)212-115(133(236)186-70-122(230)214-126(87(9)225)159(262)213-120(163(266)267)80-274-273-78-118(154(257)215-124)211-151(254)111(71-221)204-132(235)96(172)39-30-57-182-164(173)174)75-269-270-76-116(208-131(234)85(7)188-142(245)106(64-91-35-18-16-19-36-91)198-130(233)86(8)189-158(261)127(88(10)226)219-155(119)258)152(255)194-98(41-23-27-54-169)136(239)202-109(67-94-69-181-81-187-94)146(249)207-113(73-223)149(252)196-104(52-62-268-13)140(243)190-97(40-22-26-53-168)135(238)200-108(66-93-48-50-95(229)51-49-93)144(247)192-102(45-32-59-184-166(177)178)137(240)199-105(63-82(3)4)143(246)206-114(74-224)150(253)201-107(145(248)210-117)65-92-37-20-17-21-38-92/h16-21,35-38,48-51,69,81-90,96-121,124-129,221-229H,14-15,22-34,39-47,52-68,70-80,168-172H2,1-13H3,(H,181,187)(H,186,236)(H,188,245)(H,189,261)(H,190,243)(H,191,237)(H,192,247)(H,193,251)(H,194,255)(H,195,256)(H,196,252)(H,197,259)(H,198,233)(H,199,240)(H,200,238)(H,201,253)(H,202,239)(H,203,260)(H,204,235)(H,205,241)(H,206,246)(H,207,249)(H,208,234)(H,209,242)(H,210,248)(H,211,254)(H,212,263)(H,213,262)(H,214,230)(H,215,257)(H,216,264)(H,217,244)(H,218,250)(H,219,258)(H,231,232)(H,266,267)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t83-,84-,85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,124-,125-,126-,127-,128-,129-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115701
PNG
(CHEMBL3609034)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C170H274N54O49S7/c1-12-85(5)128-161(267)208-112(70-127(237)238)151(257)222-132(90(10)231)164(270)221-129(86(6)13-2)165(271)224-63-32-45-123(224)160(266)202-100(41-23-27-58-174)141(247)210-114(74-226)152(258)196-103(44-31-62-189-170(183)184)142(248)215-121-81-278-277-79-119-157(263)198-101(42-29-60-187-168(179)180)137(243)193-97(38-20-24-55-171)136(242)199-105(51-53-126(235)236)144(250)213-117(135(241)190-72-125(234)219-130(88(8)229)163(269)218-122(166(272)273)82-280-279-80-120(158(264)220-128)217-155(261)113(73-225)209-134(240)96(175)37-28-59-186-167(177)178)77-275-276-78-118(214-143(249)104(50-52-124(176)233)200-147(253)108(66-91-33-16-14-17-34-91)203-133(239)87(7)192-162(268)131(89(9)230)223-159(121)265)156(262)197-99(40-22-26-57-173)139(245)207-111(69-94-71-185-83-191-94)150(256)212-115(75-227)153(259)201-106(54-64-274-11)145(251)194-98(39-21-25-56-172)138(244)205-110(68-93-46-48-95(232)49-47-93)148(254)195-102(43-30-61-188-169(181)182)140(246)204-107(65-84(3)4)146(252)211-116(76-228)154(260)206-109(149(255)216-119)67-92-35-18-15-19-36-92/h14-19,33-36,46-49,71,83-90,96-123,128-132,225-232H,12-13,20-32,37-45,50-70,72-82,171-175H2,1-11H3,(H2,176,233)(H,185,191)(H,190,241)(H,192,268)(H,193,243)(H,194,251)(H,195,254)(H,196,258)(H,197,262)(H,198,263)(H,199,242)(H,200,253)(H,201,259)(H,202,266)(H,203,239)(H,204,246)(H,205,244)(H,206,260)(H,207,245)(H,208,267)(H,209,240)(H,210,247)(H,211,252)(H,212,256)(H,213,250)(H,214,249)(H,215,248)(H,216,255)(H,217,261)(H,218,269)(H,219,234)(H,220,264)(H,221,270)(H,222,257)(H,223,265)(H,235,236)(H,237,238)(H,272,273)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/t85-,86-,87-,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,128-,129-,130-,131-,132-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392780
PNG
(CHEMBL2151235)
Show SMILES CC(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H38F3N3O3/c1-18(36)35-23(13-19-7-5-8-21(11-19)29(30,31)32)25(37)17-33-24-15-28(9-6-10-28)38-26-22(24)12-20(16-34-26)14-27(2,3)4/h5,7-8,11-12,16,23-25,33,37H,6,9-10,13-15,17H2,1-4H3,(H,35,36)/t23-,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392782
PNG
(CHEMBL2151237)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(12-18-6-7-21(29)22(30)11-18)25(35)16-31-24-14-28(8-5-9-28)36-26-20(24)10-19(15-32-26)13-27(2,3)4/h6-7,10-11,15,23-25,31,35H,5,8-9,12-14,16H2,1-4H3,(H,33,34)/t23-,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by cells based assay


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392786
PNG
(CHEMBL2151241)
Show SMILES CC(=O)N[C@@H](Cc1ccc(F)c(c1)C#N)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C29H37FN4O3/c1-18(35)34-24(12-19-6-7-23(30)21(10-19)15-31)26(36)17-32-25-14-29(8-5-9-29)37-27-22(25)11-20(16-33-27)13-28(2,3)4/h6-7,10-11,16,24-26,32,36H,5,8-9,12-14,17H2,1-4H3,(H,34,35)/t24-,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115632
PNG
(CHEMBL3609069)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C169H274N52O48S7/c1-13-85(5)127-160(262)204-112(70-126(233)234)150(252)219-132(91(11)229)164(266)217-128(86(6)14-2)165(267)221-63-34-47-123(221)159(261)198-101(43-24-29-58-173)140(242)206-114(74-223)151(253)193-100(42-23-28-57-172)141(243)210-121-81-274-273-79-119-156(258)195-103(45-32-61-185-168(179)180)136(238)191-102(44-25-30-59-174)144(246)218-131(90(10)228)163(265)213-117(135(237)187-72-125(232)215-129(88(8)226)162(264)214-122(166(268)269)82-276-275-80-120(157(259)216-127)212-154(256)113(73-222)205-134(236)97(175)39-31-60-184-167(177)178)77-271-272-78-118(209-142(244)105(52-53-124(176)231)196-146(248)108(66-92-35-17-15-18-36-92)199-133(235)87(7)189-161(263)130(89(9)227)220-158(121)260)155(257)194-99(41-22-27-56-171)138(240)203-111(69-95-71-183-83-188-95)149(251)208-115(75-224)152(254)197-106(54-64-270-12)143(245)190-98(40-21-26-55-170)137(239)201-110(68-94-48-50-96(230)51-49-94)147(249)192-104(46-33-62-186-169(181)182)139(241)200-107(65-84(3)4)145(247)207-116(76-225)153(255)202-109(148(250)211-119)67-93-37-19-16-20-38-93/h15-20,35-38,48-51,71,83-91,97-123,127-132,222-230H,13-14,21-34,39-47,52-70,72-82,170-175H2,1-12H3,(H2,176,231)(H,183,188)(H,187,237)(H,189,263)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,257)(H,195,258)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,241)(H,201,239)(H,202,255)(H,203,240)(H,204,262)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,265)(H,214,264)(H,215,232)(H,216,259)(H,217,266)(H,218,246)(H,219,252)(H,220,260)(H,233,234)(H,268,269)(H4,177,178,184)(H4,179,180,185)(H4,181,182,186)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,127-,128-,129-,130-,131-,132-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50351924
PNG
(CHEMBL1821815)
Show SMILES C[C@H](Cc1cc2cc(ccc2nc1N)-c1ccccc1C)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C27H33N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h6-8,11-13,15-16,19-20H,3-5,9-10,14,17H2,1-2H3,(H2,28,30)(H,29,31)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by FRET assay


J Med Chem 54: 5836-57 (2011)


Article DOI: 10.1021/jm200544q
BindingDB Entry DOI: 10.7270/Q23J3DBN
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115702
PNG
(CHEMBL3609065)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)CC)[C@@H](C)O)C(C)C)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C172H281N55O46S7/c1-13-89(7)131-164(268)211-115(73-129(237)238)153(257)198-103(44-24-29-60-176)146(250)224-132(90(8)14-2)167(271)227-66-35-49-126(227)162(266)205-102(43-23-28-59-175)142(246)213-117(77-229)154(258)200-107(48-34-65-192-172(186)187)143(247)217-124-84-278-277-82-122-159(263)202-105(46-32-63-190-170(182)183)138(242)197-104(45-25-30-61-177)147(251)225-134(93(11)233)166(270)220-120(137(241)193-75-128(236)222-130(88(5)6)163(267)221-125(168(272)273)85-280-279-83-123(160(264)223-131)219-157(261)116(76-228)212-136(240)99(178)40-31-62-189-169(180)181)80-275-276-81-121(216-144(248)108(54-55-127(179)235)203-149(253)111(69-94-36-17-15-18-37-94)206-135(239)91(9)195-165(269)133(92(10)232)226-161(124)265)158(262)201-101(42-22-27-58-174)140(244)210-114(72-97-74-188-86-194-97)152(256)215-118(78-230)155(259)204-109(56-67-274-12)145(249)196-100(41-21-26-57-173)139(243)208-113(71-96-50-52-98(234)53-51-96)150(254)199-106(47-33-64-191-171(184)185)141(245)207-110(68-87(3)4)148(252)214-119(79-231)156(260)209-112(151(255)218-122)70-95-38-19-16-20-39-95/h15-20,36-39,50-53,74,86-93,99-126,130-134,228-234H,13-14,21-35,40-49,54-73,75-85,173-178H2,1-12H3,(H2,179,235)(H,188,194)(H,193,241)(H,195,269)(H,196,249)(H,197,242)(H,198,257)(H,199,254)(H,200,258)(H,201,262)(H,202,263)(H,203,253)(H,204,259)(H,205,266)(H,206,239)(H,207,245)(H,208,243)(H,209,260)(H,210,244)(H,211,268)(H,212,240)(H,213,246)(H,214,252)(H,215,256)(H,216,248)(H,217,247)(H,218,255)(H,219,261)(H,220,270)(H,221,267)(H,222,236)(H,223,264)(H,224,250)(H,225,251)(H,226,265)(H,237,238)(H,272,273)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t89-,90-,91-,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,130-,131-,132-,133-,134-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115495
PNG
(CHEMBL3608994)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C1=O)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O
Show InChI InChI=1S/C166H268N54O48S7/c1-12-82(4)124-161(266)220-60-31-44-120(220)156(261)198-97(39-21-25-54-169)137(242)206-111(71-222)148(253)193-101(43-30-59-185-166(179)180)138(243)210-118-78-273-272-77-117-154(259)195-99(41-28-57-183-164(175)176)133(238)191-98(40-22-26-55-170)141(246)217-127(87(9)227)159(264)213-114(132(237)186-69-122(231)215-125(85(7)225)158(263)214-119(162(267)268)79-275-274-75-115(212-151(256)110(70-221)205-131(236)94(171)36-27-56-182-163(173)174)152(257)188-83(5)129(234)200-109(67-123(232)233)147(252)218-128(88(10)228)160(265)216-124)74-270-271-76-116(209-139(244)102(49-50-121(172)230)196-143(248)105(63-89-32-15-13-16-33-89)199-130(235)84(6)189-157(262)126(86(8)226)219-155(118)260)153(258)194-96(38-20-24-53-168)135(240)204-108(66-92-68-181-80-187-92)146(251)208-112(72-223)149(254)197-103(51-61-269-11)140(245)190-95(37-19-23-52-167)134(239)202-107(65-91-45-47-93(229)48-46-91)144(249)192-100(42-29-58-184-165(177)178)136(241)201-104(62-81(2)3)142(247)207-113(73-224)150(255)203-106(145(250)211-117)64-90-34-17-14-18-35-90/h13-18,32-35,45-48,68,80-88,94-120,124-128,221-229H,12,19-31,36-44,49-67,69-79,167-171H2,1-11H3,(H2,172,230)(H,181,187)(H,186,237)(H,188,257)(H,189,262)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,258)(H,195,259)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,234)(H,201,241)(H,202,239)(H,203,255)(H,204,240)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,264)(H,214,263)(H,215,231)(H,216,265)(H,217,246)(H,218,252)(H,219,260)(H,232,233)(H,267,268)(H4,173,174,182)(H4,175,176,183)(H4,177,178,184)(H4,179,180,185)/t82-,83-,84-,85+,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,124-,125-,126-,127-,128-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115789
PNG
(CHEMBL3609042)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C169H274N56O48S7/c1-13-83(5)125-158(266)208-110(68-124(237)238)148(256)223-130(89(11)233)162(270)221-126(84(6)14-2)163(271)225-61-32-45-121(225)157(265)202-102(44-31-60-190-169(183)184)138(246)210-112(72-227)149(257)197-101(43-30-59-189-168(181)182)139(247)214-119-79-278-277-77-117-154(262)199-99(41-28-57-187-166(177)178)134(242)195-98(40-23-26-55-172)142(250)222-129(88(10)232)161(269)217-115(133(241)191-70-123(236)219-127(86(8)230)160(268)218-120(164(272)273)80-280-279-78-118(155(263)220-125)216-152(260)111(71-226)209-132(240)95(173)37-27-56-186-165(175)176)75-275-276-76-116(213-140(248)103(50-51-122(174)235)200-144(252)106(64-90-33-17-15-18-34-90)203-131(239)85(7)193-159(267)128(87(9)231)224-156(119)264)153(261)198-97(39-22-25-54-171)136(244)207-109(67-93-69-185-81-192-93)147(255)212-113(73-228)150(258)201-104(52-62-274-12)141(249)194-96(38-21-24-53-170)135(243)205-108(66-92-46-48-94(234)49-47-92)145(253)196-100(42-29-58-188-167(179)180)137(245)204-105(63-82(3)4)143(251)211-114(74-229)151(259)206-107(146(254)215-117)65-91-35-19-16-20-36-91/h15-20,33-36,46-49,69,81-89,95-121,125-130,226-234H,13-14,21-32,37-45,50-68,70-80,170-173H2,1-12H3,(H2,174,235)(H,185,192)(H,191,241)(H,193,267)(H,194,249)(H,195,242)(H,196,253)(H,197,257)(H,198,261)(H,199,262)(H,200,252)(H,201,258)(H,202,265)(H,203,239)(H,204,245)(H,205,243)(H,206,259)(H,207,244)(H,208,266)(H,209,240)(H,210,246)(H,211,251)(H,212,255)(H,213,248)(H,214,247)(H,215,254)(H,216,260)(H,217,269)(H,218,268)(H,219,236)(H,220,263)(H,221,270)(H,222,250)(H,223,256)(H,224,264)(H,237,238)(H,272,273)(H4,175,176,186)(H4,177,178,187)(H4,179,180,188)(H4,181,182,189)(H4,183,184,190)/t83-,84-,85-,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,125-,126-,127-,128-,129-,130-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115498
PNG
(CHEMBL3608997)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C167H272N54O48S7/c1-14-82(5)124-157(262)189-84(7)130(235)191-96(39-22-26-53-168)138(243)207-112(71-223)149(254)195-102(45-33-60-186-167(180)181)139(244)211-119-78-274-273-76-117-154(259)197-100(43-31-58-184-165(176)177)134(239)193-99(42-25-29-56-171)142(247)219-128(88(11)228)161(266)214-115(133(238)187-69-122(232)216-126(86(9)226)160(265)215-120(163(268)269)79-276-275-77-118(213-152(257)111(70-222)206-132(237)95(172)38-30-57-183-164(174)175)155(260)217-125(83(6)15-2)158(263)205-110(67-123(233)234)148(253)220-129(89(12)229)162(267)218-124)74-271-272-75-116(210-140(245)103(50-51-121(173)231)198-144(249)106(63-90-34-18-16-19-35-90)200-131(236)85(8)190-159(264)127(87(10)227)221-156(119)261)153(258)196-98(41-24-28-55-170)136(241)204-109(66-93-68-182-80-188-93)147(252)209-113(72-224)150(255)199-104(52-61-270-13)141(246)192-97(40-23-27-54-169)135(240)202-108(65-92-46-48-94(230)49-47-92)145(250)194-101(44-32-59-185-166(178)179)137(242)201-105(62-81(3)4)143(248)208-114(73-225)151(256)203-107(146(251)212-117)64-91-36-20-17-21-37-91/h16-21,34-37,46-49,68,80-89,95-120,124-129,222-230H,14-15,22-33,38-45,50-67,69-79,168-172H2,1-13H3,(H2,173,231)(H,182,188)(H,187,238)(H,189,262)(H,190,264)(H,191,235)(H,192,246)(H,193,239)(H,194,250)(H,195,254)(H,196,258)(H,197,259)(H,198,249)(H,199,255)(H,200,236)(H,201,242)(H,202,240)(H,203,256)(H,204,241)(H,205,263)(H,206,237)(H,207,243)(H,208,248)(H,209,252)(H,210,245)(H,211,244)(H,212,251)(H,213,257)(H,214,266)(H,215,265)(H,216,232)(H,217,260)(H,218,267)(H,219,247)(H,220,253)(H,221,261)(H,233,234)(H,268,269)(H4,174,175,183)(H4,176,177,184)(H4,178,179,185)(H4,180,181,186)/t82-,83-,84-,85-,86+,87+,88+,89+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,124-,125-,126-,127-,128-,129-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115799
PNG
(CHEMBL3609049)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C169H279N55O48S7/c1-13-84(5)125-158(265)207-110(71-124(236)237)148(255)222-130(90(11)232)162(269)220-126(85(6)14-2)163(270)224-65-34-48-121(224)157(264)202-98(42-23-27-58-172)138(245)209-112(74-226)149(256)197-103(47-33-64-190-169(184)185)140(247)213-119-81-277-276-79-117-154(261)199-100(44-30-61-187-166(178)179)135(242)194-99(43-24-28-59-173)143(250)221-129(89(10)231)161(268)216-115(133(240)191-72-123(235)218-127(87(8)229)160(267)217-120(164(271)272)82-279-278-80-118(155(262)219-125)215-152(259)111(73-225)208-132(239)95(174)39-29-60-186-165(176)177)77-274-275-78-116(212-141(248)104(53-54-122(175)234)200-145(252)107(68-91-35-17-15-18-36-91)203-131(238)86(7)192-159(266)128(88(9)230)223-156(119)263)153(260)198-96(40-21-25-56-170)134(241)195-102(46-32-63-189-168(182)183)139(246)210-113(75-227)150(257)201-105(55-66-273-12)142(249)193-97(41-22-26-57-171)136(243)205-109(70-93-49-51-94(233)52-50-93)146(253)196-101(45-31-62-188-167(180)181)137(244)204-106(67-83(3)4)144(251)211-114(76-228)151(258)206-108(147(254)214-117)69-92-37-19-16-20-38-92/h15-20,35-38,49-52,83-90,95-121,125-130,225-233H,13-14,21-34,39-48,53-82,170-174H2,1-12H3,(H2,175,234)(H,191,240)(H,192,266)(H,193,249)(H,194,242)(H,195,241)(H,196,253)(H,197,256)(H,198,260)(H,199,261)(H,200,252)(H,201,257)(H,202,264)(H,203,238)(H,204,244)(H,205,243)(H,206,258)(H,207,265)(H,208,239)(H,209,245)(H,210,246)(H,211,251)(H,212,248)(H,213,247)(H,214,254)(H,215,259)(H,216,268)(H,217,267)(H,218,235)(H,219,262)(H,220,269)(H,221,250)(H,222,255)(H,223,263)(H,236,237)(H,271,272)(H4,176,177,186)(H4,178,179,187)(H4,180,181,188)(H4,182,183,189)(H4,184,185,190)/t84-,85-,86-,87+,88+,89+,90+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,125-,126-,127-,128-,129-,130-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115705
PNG
(CHEMBL3609078)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C169H275N55O48S7/c1-11-84(3)126-159(265)207-111(70-125(236)237)149(255)222-131(90(9)232)163(269)220-127(85(4)12-2)164(270)224-64-33-47-122(224)158(264)202-100(42-22-27-58-173)140(246)209-113(74-226)150(256)197-104(46-32-63-189-169(183)184)141(247)213-120-81-277-276-79-118-155(261)199-103(45-31-62-188-168(181)182)136(242)195-101(43-23-28-59-174)144(250)221-130(89(8)231)162(268)216-116(134(240)190-72-124(235)218-128(87(6)229)161(267)217-121(165(271)272)82-279-278-80-119(156(262)219-126)215-153(259)112(73-225)208-133(239)96(175)38-29-60-186-166(177)178)77-274-275-78-117(212-142(248)105(52-53-123(176)234)200-145(251)107(66-91-34-15-13-16-35-91)203-132(238)86(5)192-160(266)129(88(7)230)223-157(120)263)154(260)198-98(40-20-25-56-171)138(244)206-110(69-94-71-185-83-191-94)148(254)211-114(75-227)151(257)201-106(54-65-273-10)143(249)194-97(39-19-24-55-170)137(243)204-109(68-93-48-50-95(233)51-49-93)146(252)196-102(44-30-61-187-167(179)180)135(241)193-99(41-21-26-57-172)139(245)210-115(76-228)152(258)205-108(147(253)214-118)67-92-36-17-14-18-37-92/h13-18,34-37,48-51,71,83-90,96-122,126-131,225-233H,11-12,19-33,38-47,52-70,72-82,170-175H2,1-10H3,(H2,176,234)(H,185,191)(H,190,240)(H,192,266)(H,193,241)(H,194,249)(H,195,242)(H,196,252)(H,197,256)(H,198,260)(H,199,261)(H,200,251)(H,201,257)(H,202,264)(H,203,238)(H,204,243)(H,205,258)(H,206,244)(H,207,265)(H,208,239)(H,209,246)(H,210,245)(H,211,254)(H,212,248)(H,213,247)(H,214,253)(H,215,259)(H,216,268)(H,217,267)(H,218,235)(H,219,262)(H,220,269)(H,221,250)(H,222,255)(H,223,263)(H,236,237)(H,271,272)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/t84-,85-,86-,87+,88+,89+,90+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50397707
PNG
(CHEMBL2181907)
Show SMILES COCC(=O)N[C@@H](Cc1cc(ccc1F)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C31H40FN3O4/c1-6-20-8-9-24(32)22(12-20)14-25(35-28(37)19-38-5)27(36)18-33-26-16-31(10-7-11-31)39-29-23(26)13-21(17-34-29)15-30(2,3)4/h1,8-9,12-13,17,25-27,33,36H,7,10-11,14-16,18-19H2,2-5H3,(H,35,37)/t25-,26-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9025-44 (2012)


Article DOI: 10.1021/jm300118s
BindingDB Entry DOI: 10.7270/Q298885R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115790
PNG
(CHEMBL3609043)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C172H281N57O47S7/c1-13-86(5)128-161(269)213-114(72-127(240)241)152(260)227-133(92(11)236)165(273)225-129(87(6)14-2)166(274)229-65-34-48-124(229)160(268)207-101(42-23-27-58-175)137(245)200-103(44-30-61-191-169(181)182)138(246)201-106(47-33-64-194-172(187)188)143(251)218-122-82-281-280-80-120-157(265)204-104(45-31-62-192-170(183)184)139(247)199-102(43-24-28-59-176)146(254)226-132(91(10)235)164(272)221-118(136(244)195-74-126(239)223-130(89(8)233)163(271)222-123(167(275)276)83-283-282-81-121(158(266)224-128)220-155(263)115(75-230)214-135(243)98(177)39-29-60-190-168(179)180)78-278-279-79-119(217-144(252)107(53-54-125(178)238)205-148(256)110(68-93-35-17-15-18-36-93)208-134(242)88(7)197-162(270)131(90(9)234)228-159(122)267)156(264)203-100(41-22-26-57-174)141(249)212-113(71-96-73-189-84-196-96)151(259)216-116(76-231)153(261)206-108(55-66-277-12)145(253)198-99(40-21-25-56-173)140(248)210-112(70-95-49-51-97(237)52-50-95)149(257)202-105(46-32-63-193-171(185)186)142(250)209-109(67-85(3)4)147(255)215-117(77-232)154(262)211-111(150(258)219-120)69-94-37-19-16-20-38-94/h15-20,35-38,49-52,73,84-92,98-124,128-133,230-237H,13-14,21-34,39-48,53-72,74-83,173-177H2,1-12H3,(H2,178,238)(H,189,196)(H,195,244)(H,197,270)(H,198,253)(H,199,247)(H,200,245)(H,201,246)(H,202,257)(H,203,264)(H,204,265)(H,205,256)(H,206,261)(H,207,268)(H,208,242)(H,209,250)(H,210,248)(H,211,262)(H,212,249)(H,213,269)(H,214,243)(H,215,255)(H,216,259)(H,217,252)(H,218,251)(H,219,258)(H,220,263)(H,221,272)(H,222,271)(H,223,239)(H,224,266)(H,225,273)(H,226,254)(H,227,260)(H,228,267)(H,240,241)(H,275,276)(H4,179,180,190)(H4,181,182,191)(H4,183,184,192)(H4,185,186,193)(H4,187,188,194)/t86-,87-,88-,89+,90+,91+,92+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,128-,129-,130-,131-,132-,133-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392776
PNG
(CHEMBL2151151)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H39N3O3/c1-19(32)31-23(14-20-9-6-5-7-10-20)25(33)18-29-24-16-28(11-8-12-28)34-26-22(24)13-21(17-30-26)15-27(2,3)4/h5-7,9-10,13,17,23-25,29,33H,8,11-12,14-16,18H2,1-4H3,(H,31,32)/t23-,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE by cells based assay


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115814
PNG
(CHEMBL3609062)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN
Show InChI InChI=1S/C169H274N52O48S7/c1-13-85(5)127-160(262)204-112(70-126(233)234)150(252)219-132(91(11)229)164(266)217-128(86(6)14-2)165(267)221-63-34-47-123(221)159(261)198-100(42-24-29-58-173)140(242)206-114(74-223)151(253)193-104(46-33-62-186-169(181)182)141(243)210-121-81-274-273-79-119-156(258)195-102(44-31-60-184-167(177)178)136(238)191-101(43-25-30-59-174)144(246)218-131(90(10)228)163(265)213-117(135(237)187-72-125(232)215-129(88(8)226)162(264)214-122(166(268)269)82-276-275-80-120(157(259)216-127)212-154(256)113(73-222)205-134(236)97(175)39-21-26-55-170)77-271-272-78-118(209-142(244)105(52-53-124(176)231)196-146(248)108(66-92-35-17-15-18-36-92)199-133(235)87(7)189-161(263)130(89(9)227)220-158(121)260)155(257)194-99(41-23-28-57-172)138(240)203-111(69-95-71-183-83-188-95)149(251)208-115(75-224)152(254)197-106(54-64-270-12)143(245)190-98(40-22-27-56-171)137(239)201-110(68-94-48-50-96(230)51-49-94)147(249)192-103(45-32-61-185-168(179)180)139(241)200-107(65-84(3)4)145(247)207-116(76-225)153(255)202-109(148(250)211-119)67-93-37-19-16-20-38-93/h15-20,35-38,48-51,71,83-91,97-123,127-132,222-230H,13-14,21-34,39-47,52-70,72-82,170-175H2,1-12H3,(H2,176,231)(H,183,188)(H,187,237)(H,189,263)(H,190,245)(H,191,238)(H,192,249)(H,193,253)(H,194,257)(H,195,258)(H,196,248)(H,197,254)(H,198,261)(H,199,235)(H,200,241)(H,201,239)(H,202,255)(H,203,240)(H,204,262)(H,205,236)(H,206,242)(H,207,247)(H,208,251)(H,209,244)(H,210,243)(H,211,250)(H,212,256)(H,213,265)(H,214,264)(H,215,232)(H,216,259)(H,217,266)(H,218,246)(H,219,252)(H,220,260)(H,233,234)(H,268,269)(H4,177,178,184)(H4,179,180,185)(H4,181,182,186)/t85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,127-,128-,129-,130-,131-,132-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115626
PNG
(CHEMBL3609260)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3cccc4ccccc34)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C176H273N53O48S7/c1-13-88(5)133-166(270)212-118(73-132(241)242)156(260)227-138(94(11)237)170(274)225-134(89(6)14-2)171(275)229-65-34-50-129(229)165(269)205-106(46-25-28-60-179)146(250)214-120(77-231)157(261)200-109(49-33-64-194-176(188)189)147(251)218-127-84-282-281-82-125-162(266)202-108(48-32-63-193-175(186)187)145(249)210-116(71-99-41-29-40-98-39-21-22-42-102(98)99)155(259)226-137(93(10)236)169(273)221-123(141(245)195-75-131(240)223-135(91(8)234)168(272)222-128(172(276)277)85-284-283-83-126(163(267)224-133)220-160(264)119(76-230)213-140(244)103(180)43-30-61-191-173(182)183)80-279-280-81-124(217-148(252)110(55-56-130(181)239)203-151(255)113(68-95-35-17-15-18-36-95)206-139(243)90(7)197-167(271)136(92(9)235)228-164(127)268)161(265)201-105(45-24-27-59-178)143(247)211-117(72-100-74-190-86-196-100)154(258)216-121(78-232)158(262)204-111(57-66-278-12)149(253)198-104(44-23-26-58-177)142(246)208-115(70-97-51-53-101(238)54-52-97)152(256)199-107(47-31-62-192-174(184)185)144(248)207-112(67-87(3)4)150(254)215-122(79-233)159(263)209-114(153(257)219-125)69-96-37-19-16-20-38-96/h15-22,29,35-42,51-54,74,86-94,103-129,133-138,230-238H,13-14,23-28,30-34,43-50,55-73,75-85,177-180H2,1-12H3,(H2,181,239)(H,190,196)(H,195,245)(H,197,271)(H,198,253)(H,199,256)(H,200,261)(H,201,265)(H,202,266)(H,203,255)(H,204,262)(H,205,269)(H,206,243)(H,207,248)(H,208,246)(H,209,263)(H,210,249)(H,211,247)(H,212,270)(H,213,244)(H,214,250)(H,215,254)(H,216,258)(H,217,252)(H,218,251)(H,219,257)(H,220,264)(H,221,273)(H,222,272)(H,223,240)(H,224,267)(H,225,274)(H,226,259)(H,227,260)(H,228,268)(H,241,242)(H,276,277)(H4,182,183,191)(H4,184,185,192)(H4,186,187,193)(H4,188,189,194)/t88-,89-,90-,91+,92+,93+,94+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,133-,134-,135-,136-,137-,138-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
MMDB
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50397697
PNG
(CHEMBL2181917)
Show SMILES C[C@@H](O)C(=O)N[C@@H](Cc1cccc(c1)-c1nccs1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C32H42N4O4S/c1-20(37)28(39)36-25(15-21-7-5-8-23(13-21)30-33-11-12-41-30)27(38)19-34-26-17-32(9-6-10-32)40-29-24(26)14-22(18-35-29)16-31(2,3)4/h5,7-8,11-14,18,20,25-27,34,37-38H,6,9-10,15-17,19H2,1-4H3,(H,36,39)/t20-,25+,26+,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9025-44 (2012)


Article DOI: 10.1021/jm300118s
BindingDB Entry DOI: 10.7270/Q298885R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115610
PNG
(CHEMBL3609251)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cccc5ccccc45)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C176H278N52O48S7/c1-13-89(5)133-166(269)211-118(76-132(240)241)156(259)226-138(95(11)236)170(273)224-134(90(6)14-2)171(274)228-69-36-53-129(228)165(268)205-106(48-25-29-63-179)146(249)213-120(79-230)157(260)200-110(52-35-68-194-176(189)190)147(250)217-127-86-281-280-84-125-162(265)202-108(50-33-66-192-174(185)186)142(245)198-107(49-26-30-64-180)150(253)225-137(94(10)235)169(272)220-123(141(244)195-77-131(239)222-135(92(8)233)168(271)221-128(172(275)276)87-283-282-85-126(163(266)223-133)219-160(263)119(78-229)212-140(243)103(181)45-32-65-191-173(183)184)82-278-279-83-124(216-148(251)111(58-59-130(182)238)203-152(255)114(72-96-37-17-15-18-38-96)206-139(242)91(7)196-167(270)136(93(9)234)227-164(127)267)161(264)201-105(47-24-28-62-178)144(247)210-117(75-100-43-31-42-99-41-21-22-44-102(99)100)155(258)215-121(80-231)158(261)204-112(60-70-277-12)149(252)197-104(46-23-27-61-177)143(246)208-116(74-98-54-56-101(237)57-55-98)153(256)199-109(51-34-67-193-175(187)188)145(248)207-113(71-88(3)4)151(254)214-122(81-232)159(262)209-115(154(257)218-125)73-97-39-19-16-20-40-97/h15-22,31,37-44,54-57,88-95,103-129,133-138,229-237H,13-14,23-30,32-36,45-53,58-87,177-181H2,1-12H3,(H2,182,238)(H,195,244)(H,196,270)(H,197,252)(H,198,245)(H,199,256)(H,200,260)(H,201,264)(H,202,265)(H,203,255)(H,204,261)(H,205,268)(H,206,242)(H,207,248)(H,208,246)(H,209,262)(H,210,247)(H,211,269)(H,212,243)(H,213,249)(H,214,254)(H,215,258)(H,216,251)(H,217,250)(H,218,257)(H,219,263)(H,220,272)(H,221,271)(H,222,239)(H,223,266)(H,224,273)(H,225,253)(H,226,259)(H,227,267)(H,240,241)(H,275,276)(H4,183,184,191)(H4,185,186,192)(H4,187,188,193)(H4,189,190,194)/t89-,90-,91-,92+,93+,94+,95+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,133-,134-,135-,136-,137-,138-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115631
PNG
(CHEMBL3609068)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C172H281N55O47S7/c1-13-87(5)129-162(267)211-115(73-128(238)239)153(258)225-134(93(11)234)166(271)223-130(88(6)14-2)167(272)227-66-35-49-125(227)161(266)205-103(44-24-29-60-176)139(244)196-100(41-21-26-57-173)138(243)199-107(48-34-65-192-172(186)187)144(249)216-123-83-279-278-81-121-158(263)202-105(46-32-63-190-170(182)183)140(245)198-104(45-25-30-61-177)147(252)224-133(92(10)233)165(270)219-119(137(242)193-75-127(237)221-131(90(8)231)164(269)220-124(168(273)274)84-281-280-82-122(159(264)222-129)218-156(261)116(76-228)212-136(241)99(178)40-31-62-189-169(180)181)79-276-277-80-120(215-145(250)108(54-55-126(179)236)203-149(254)111(69-94-36-17-15-18-37-94)206-135(240)89(7)195-163(268)132(91(9)232)226-160(123)265)157(262)201-102(43-23-28-59-175)142(247)210-114(72-97-74-188-85-194-97)152(257)214-117(77-229)154(259)204-109(56-67-275-12)146(251)197-101(42-22-27-58-174)141(246)208-113(71-96-50-52-98(235)53-51-96)150(255)200-106(47-33-64-191-171(184)185)143(248)207-110(68-86(3)4)148(253)213-118(78-230)155(260)209-112(151(256)217-121)70-95-38-19-16-20-39-95/h15-20,36-39,50-53,74,85-93,99-125,129-134,228-235H,13-14,21-35,40-49,54-73,75-84,173-178H2,1-12H3,(H2,179,236)(H,188,194)(H,193,242)(H,195,268)(H,196,244)(H,197,251)(H,198,245)(H,199,243)(H,200,255)(H,201,262)(H,202,263)(H,203,254)(H,204,259)(H,205,266)(H,206,240)(H,207,248)(H,208,246)(H,209,260)(H,210,247)(H,211,267)(H,212,241)(H,213,253)(H,214,257)(H,215,250)(H,216,249)(H,217,256)(H,218,261)(H,219,270)(H,220,269)(H,221,237)(H,222,264)(H,223,271)(H,224,252)(H,225,258)(H,226,265)(H,238,239)(H,273,274)(H4,180,181,189)(H4,182,183,190)(H4,184,185,191)(H4,186,187,192)/t87-,88-,89-,90+,91+,92+,93+,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,129-,130-,131-,132-,133-,134-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115494
PNG
(CHEMBL3608993)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C169H274N54O47S7/c1-14-84(5)126-159(263)207-112(70-125(234)235)150(254)221-131(91(12)230)163(267)219-127(85(6)15-2)164(268)223-63-34-47-122(223)158(262)201-100(42-24-28-57-172)140(244)208-113(73-224)151(255)196-104(46-33-62-188-169(182)183)141(245)213-120-80-275-274-78-118-155(259)198-102(44-31-60-186-167(178)179)136(240)194-101(43-25-29-58-173)144(248)220-130(90(11)229)162(266)215-116(135(239)189-72-124(233)217-128(88(9)227)161(265)216-121(165(269)270)81-277-276-79-119(156(260)218-126)211-133(237)86(7)191-134(238)97(174)39-30-59-185-166(176)177)76-272-273-77-117(212-142(246)105(52-53-123(175)232)199-146(250)108(66-92-35-18-16-19-36-92)202-132(236)87(8)192-160(264)129(89(10)228)222-157(120)261)154(258)197-99(41-23-27-56-171)138(242)206-111(69-95-71-184-82-190-95)149(253)210-114(74-225)152(256)200-106(54-64-271-13)143(247)193-98(40-22-26-55-170)137(241)204-110(68-94-48-50-96(231)51-49-94)147(251)195-103(45-32-61-187-168(180)181)139(243)203-107(65-83(3)4)145(249)209-115(75-226)153(257)205-109(148(252)214-118)67-93-37-20-17-21-38-93/h16-21,35-38,48-51,71,82-91,97-122,126-131,224-231H,14-15,22-34,39-47,52-70,72-81,170-174H2,1-13H3,(H2,175,232)(H,184,190)(H,189,239)(H,191,238)(H,192,264)(H,193,247)(H,194,240)(H,195,251)(H,196,255)(H,197,258)(H,198,259)(H,199,250)(H,200,256)(H,201,262)(H,202,236)(H,203,243)(H,204,241)(H,205,257)(H,206,242)(H,207,263)(H,208,244)(H,209,249)(H,210,253)(H,211,237)(H,212,246)(H,213,245)(H,214,252)(H,215,266)(H,216,265)(H,217,233)(H,218,260)(H,219,267)(H,220,248)(H,221,254)(H,222,261)(H,234,235)(H,269,270)(H4,176,177,185)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t84-,85-,86-,87-,88+,89+,90+,91+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,126-,127-,128-,129-,130-,131-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50397688
PNG
(CHEMBL2181896)
Show SMILES COCC(=O)N[C@@H](Cc1cccc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C31H41N3O4/c1-6-21-9-7-10-22(13-21)15-25(34-28(36)20-37-5)27(35)19-32-26-17-31(11-8-12-31)38-29-24(26)14-23(18-33-29)16-30(2,3)4/h1,7,9-10,13-14,18,25-27,32,35H,8,11-12,15-17,19-20H2,2-5H3,(H,34,36)/t25-,26-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using Glu-Ile-Asp-Leu-Met-Val-Leu-Asp as substrate incubated for 60 mins prior to substrate addition measured a...


J Med Chem 55: 9025-44 (2012)


Article DOI: 10.1021/jm300118s
BindingDB Entry DOI: 10.7270/Q298885R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115590
PNG
(CHEMBL3609233)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C163H270N54O48S7/c1-14-79(5)120-153(258)200-105(64-119(229)230)143(248)215-125(86(12)225)157(262)213-121(80(6)15-2)158(263)217-58-31-42-116(217)152(257)195-94(37-21-25-52-166)134(239)202-108(69-220)145(250)190-98(41-30-57-182-163(176)177)135(240)207-114-75-270-268-72-111-148(253)192-96(39-28-55-180-161(172)173)130(235)188-95(38-22-26-53-167)138(243)214-124(85(11)224)156(261)209-110(129(234)183-66-118(228)211-122(83(9)222)155(260)210-115(159(264)265)76-272-271-74-113(150(255)212-120)208-147(252)107(68-219)201-128(233)91(168)34-27-54-179-160(170)171)71-267-269-73-112(206-136(241)99(47-48-117(169)227)193-140(245)102(61-87-32-17-16-18-33-87)196-126(231)82(8)186-154(259)123(84(10)223)216-151(114)256)149(254)191-93(36-20-24-51-165)132(237)199-104(63-89-65-178-77-184-89)142(247)204-109(70-221)146(251)194-100(49-59-266-13)137(242)187-92(35-19-23-50-164)131(236)198-103(62-88-43-45-90(226)46-44-88)141(246)189-97(40-29-56-181-162(174)175)133(238)197-101(60-78(3)4)139(244)203-106(67-218)144(249)185-81(7)127(232)205-111/h16-18,32-33,43-46,65,77-86,91-116,120-125,218-226H,14-15,19-31,34-42,47-64,66-76,164-168H2,1-13H3,(H2,169,227)(H,178,184)(H,183,234)(H,185,249)(H,186,259)(H,187,242)(H,188,235)(H,189,246)(H,190,250)(H,191,254)(H,192,253)(H,193,245)(H,194,251)(H,195,257)(H,196,231)(H,197,238)(H,198,236)(H,199,237)(H,200,258)(H,201,233)(H,202,239)(H,203,244)(H,204,247)(H,205,232)(H,206,241)(H,207,240)(H,208,252)(H,209,261)(H,210,260)(H,211,228)(H,212,255)(H,213,262)(H,214,243)(H,215,248)(H,216,256)(H,229,230)(H,264,265)(H4,170,171,179)(H4,172,173,180)(H4,174,175,181)(H4,176,177,182)/t79-,80-,81-,82-,83+,84+,85+,86+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,120-,121-,122-,123-,124-,125-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115505
PNG
(CHEMBL3609224)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](C)NC3=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C166H267N53O48S7/c1-14-81(5)123-156(260)202-108(66-122(231)232)146(250)217-128(88(12)227)160(264)215-124(82(6)15-2)161(265)219-59-32-44-119(219)155(259)196-96(39-23-26-53-168)136(240)204-110(70-221)147(251)192-100(43-31-58-184-166(178)179)137(241)208-117-77-272-271-75-115-152(256)193-98(41-29-56-182-164(174)175)133(237)190-97(40-24-27-54-169)140(244)216-127(87(11)226)159(263)211-113(132(236)185-68-121(230)213-125(85(9)224)158(262)212-118(162(266)267)78-274-273-76-116(153(257)214-123)210-150(254)109(69-220)203-131(235)94(170)37-28-55-181-163(172)173)73-269-270-74-114(207-138(242)101(49-50-120(171)229)194-142(246)104(62-89-33-18-16-19-34-89)197-130(234)84(8)188-157(261)126(86(10)225)218-154(117)258)151(255)187-83(7)129(233)198-107(65-92-67-180-79-186-92)145(249)206-111(71-222)148(252)195-102(51-60-268-13)139(243)189-95(38-22-25-52-167)134(238)200-106(64-91-45-47-93(228)48-46-91)143(247)191-99(42-30-57-183-165(176)177)135(239)199-103(61-80(3)4)141(245)205-112(72-223)149(253)201-105(144(248)209-115)63-90-35-20-17-21-36-90/h16-21,33-36,45-48,67,79-88,94-119,123-128,220-228H,14-15,22-32,37-44,49-66,68-78,167-170H2,1-13H3,(H2,171,229)(H,180,186)(H,185,236)(H,187,255)(H,188,261)(H,189,243)(H,190,237)(H,191,247)(H,192,251)(H,193,256)(H,194,246)(H,195,252)(H,196,259)(H,197,234)(H,198,233)(H,199,239)(H,200,238)(H,201,253)(H,202,260)(H,203,235)(H,204,240)(H,205,245)(H,206,249)(H,207,242)(H,208,241)(H,209,248)(H,210,254)(H,211,263)(H,212,262)(H,213,230)(H,214,257)(H,215,264)(H,216,244)(H,217,250)(H,218,258)(H,231,232)(H,266,267)(H4,172,173,181)(H4,174,175,182)(H4,176,177,183)(H4,178,179,184)/t81-,82-,83-,84-,85+,86+,87+,88+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,123-,124-,125-,126-,127-,128-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.1 expressed in HEK293 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch cla...


J Med Chem 58: 6784-802 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00495
BindingDB Entry DOI: 10.7270/Q22V2HWG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50392777
PNG
(CHEMBL2151152)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1F)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12
Show InChI InChI=1S/C28H38FN3O3/c1-18(33)32-23(13-20-8-5-6-9-22(20)29)25(34)17-30-24-15-28(10-7-11-28)35-26-21(24)12-19(16-31-26)14-27(2,3)4/h5-6,8-9,12,16,23-25,30,34H,7,10-11,13-15,17H2,1-4H3,(H,32,33)/t23-,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of BACE


ACS Med Chem Lett 3: 886-891 (2012)


Article DOI: 10.1021/ml3000148
BindingDB Entry DOI: 10.7270/Q2M909RW
More data for this
Ligand-Target Pair
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