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BDBM50115636 CHEMBL3609073

SMILES: [H][C@@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@H](CCCCN)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)N1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC2=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)CC)[C@@H](C)O)[C@@H](C)CC

InChI Key: InChIKey=NIJMVPXQBCUKPQ-SFWJYAITNA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50115636   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115636
PNG
(CHEMBL3609073)
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](CCCCN)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=1/C170H278N54O47S7/c1-13-86(5)127-160(264)207-113(71-126(235)236)150(254)222-132(92(11)232)164(268)220-128(87(6)14-2)165(269)224-64-35-49-124(224)159(263)201-102(44-24-29-58-174)140(244)209-115(75-226)151(255)197-106(48-34-63-189-170(183)184)142(246)213-122-82-276-275-80-120-156(260)199-104(46-32-61-187-168(179)180)136(240)194-103(45-25-30-59-175)144(248)221-131(91(10)231)163(267)216-118(135(239)190-73-125(234)218-129(89(8)229)162(266)217-123(166(270)271)83-278-277-81-121(157(261)219-127)215-154(258)114(74-225)208-134(238)98(176)40-31-60-186-167(177)178)78-273-274-79-119(212-141(245)101(43-23-28-57-173)195-146(250)109(67-93-36-17-15-18-37-93)202-133(237)88(7)192-161(265)130(90(9)230)223-158(122)262)155(259)198-100(42-22-27-56-172)138(242)206-112(70-96-72-185-84-191-96)149(253)211-116(76-227)152(256)200-107(54-65-272-12)143(247)193-99(41-21-26-55-171)137(241)204-111(69-95-50-52-97(233)53-51-95)147(251)196-105(47-33-62-188-169(181)182)139(243)203-108(66-85(3)4)145(249)210-117(77-228)153(257)205-110(148(252)214-120)68-94-38-19-16-20-39-94/h15-20,36-39,50-53,72,84-92,98-124,127-132,225-233H,13-14,21-35,40-49,54-71,73-83,171-176H2,1-12H3,(H,185,191)(H,190,239)(H,192,265)(H,193,247)(H,194,240)(H,195,250)(H,196,251)(H,197,255)(H,198,259)(H,199,260)(H,200,256)(H,201,263)(H,202,237)(H,203,243)(H,204,241)(H,205,257)(H,206,242)(H,207,264)(H,208,238)(H,209,244)(H,210,249)(H,211,253)(H,212,245)(H,213,246)(H,214,252)(H,215,258)(H,216,267)(H,217,266)(H,218,234)(H,219,261)(H,220,268)(H,221,248)(H,222,254)(H,223,262)(H,235,236)(H,270,271)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/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-,127-,128-,129-,130-,131-,132-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 151n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IFN-gamma secretion incubated for 30 prior to thapsi...


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))
BDBM50115636
PNG
(CHEMBL3609073)
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](CCCCN)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=1/C170H278N54O47S7/c1-13-86(5)127-160(264)207-113(71-126(235)236)150(254)222-132(92(11)232)164(268)220-128(87(6)14-2)165(269)224-64-35-49-124(224)159(263)201-102(44-24-29-58-174)140(244)209-115(75-226)151(255)197-106(48-34-63-189-170(183)184)142(246)213-122-82-276-275-80-120-156(260)199-104(46-32-61-187-168(179)180)136(240)194-103(45-25-30-59-175)144(248)221-131(91(10)231)163(267)216-118(135(239)190-73-125(234)218-129(89(8)229)162(266)217-123(166(270)271)83-278-277-81-121(157(261)219-127)215-154(258)114(74-225)208-134(238)98(176)40-31-60-186-167(177)178)78-273-274-79-119(212-141(245)101(43-23-28-57-173)195-146(250)109(67-93-36-17-15-18-37-93)202-133(237)88(7)192-161(265)130(90(9)230)223-158(122)262)155(259)198-100(42-22-27-56-172)138(242)206-112(70-96-72-185-84-191-96)149(253)211-116(76-227)152(256)200-107(54-65-272-12)143(247)193-99(41-21-26-55-171)137(241)204-111(69-95-50-52-97(233)53-51-95)147(251)196-105(47-33-62-188-169(181)182)139(243)203-108(66-85(3)4)145(249)210-117(77-228)153(257)205-110(148(252)214-120)68-94-38-19-16-20-39-94/h15-20,36-39,50-53,72,84-92,98-124,127-132,225-233H,13-14,21-35,40-49,54-71,73-83,171-176H2,1-12H3,(H,185,191)(H,190,239)(H,192,265)(H,193,247)(H,194,240)(H,195,250)(H,196,251)(H,197,255)(H,198,259)(H,199,260)(H,200,256)(H,201,263)(H,202,237)(H,203,243)(H,204,241)(H,205,257)(H,206,242)(H,207,264)(H,208,238)(H,209,244)(H,210,249)(H,211,253)(H,212,245)(H,213,246)(H,214,252)(H,215,258)(H,216,267)(H,217,266)(H,218,234)(H,219,261)(H,220,268)(H,221,248)(H,222,254)(H,223,262)(H,235,236)(H,270,271)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/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-,127-,128-,129-,130-,131-,132-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 108n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at Kv1.3 in human whole blood assessed as inhibition of thapsigargin-induced IL-2 secretion incubated for 30 prior to thapsigargi...


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))
BDBM50115636
PNG
(CHEMBL3609073)
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](CCCCN)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=1/C170H278N54O47S7/c1-13-86(5)127-160(264)207-113(71-126(235)236)150(254)222-132(92(11)232)164(268)220-128(87(6)14-2)165(269)224-64-35-49-124(224)159(263)201-102(44-24-29-58-174)140(244)209-115(75-226)151(255)197-106(48-34-63-189-170(183)184)142(246)213-122-82-276-275-80-120-156(260)199-104(46-32-61-187-168(179)180)136(240)194-103(45-25-30-59-175)144(248)221-131(91(10)231)163(267)216-118(135(239)190-73-125(234)218-129(89(8)229)162(266)217-123(166(270)271)83-278-277-81-121(157(261)219-127)215-154(258)114(74-225)208-134(238)98(176)40-31-60-186-167(177)178)78-273-274-79-119(212-141(245)101(43-23-28-57-173)195-146(250)109(67-93-36-17-15-18-37-93)202-133(237)88(7)192-161(265)130(90(9)230)223-158(122)262)155(259)198-100(42-22-27-56-172)138(242)206-112(70-96-72-185-84-191-96)149(253)211-116(76-227)152(256)200-107(54-65-272-12)143(247)193-99(41-21-26-55-171)137(241)204-111(69-95-50-52-97(233)53-51-95)147(251)196-105(47-33-62-188-169(181)182)139(243)203-108(66-85(3)4)145(249)210-117(77-228)153(257)205-110(148(252)214-120)68-94-38-19-16-20-39-94/h15-20,36-39,50-53,72,84-92,98-124,127-132,225-233H,13-14,21-35,40-49,54-71,73-83,171-176H2,1-12H3,(H,185,191)(H,190,239)(H,192,265)(H,193,247)(H,194,240)(H,195,250)(H,196,251)(H,197,255)(H,198,259)(H,199,260)(H,200,256)(H,201,263)(H,202,237)(H,203,243)(H,204,241)(H,205,257)(H,206,242)(H,207,264)(H,208,238)(H,209,244)(H,210,249)(H,211,253)(H,212,245)(H,213,246)(H,214,252)(H,215,258)(H,216,267)(H,217,266)(H,218,234)(H,219,261)(H,220,268)(H,221,248)(H,222,254)(H,223,262)(H,235,236)(H,270,271)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/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-,127-,128-,129-,130-,131-,132-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.34E+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
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50115636
PNG
(CHEMBL3609073)
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](CCCCN)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=1/C170H278N54O47S7/c1-13-86(5)127-160(264)207-113(71-126(235)236)150(254)222-132(92(11)232)164(268)220-128(87(6)14-2)165(269)224-64-35-49-124(224)159(263)201-102(44-24-29-58-174)140(244)209-115(75-226)151(255)197-106(48-34-63-189-170(183)184)142(246)213-122-82-276-275-80-120-156(260)199-104(46-32-61-187-168(179)180)136(240)194-103(45-25-30-59-175)144(248)221-131(91(10)231)163(267)216-118(135(239)190-73-125(234)218-129(89(8)229)162(266)217-123(166(270)271)83-278-277-81-121(157(261)219-127)215-154(258)114(74-225)208-134(238)98(176)40-31-60-186-167(177)178)78-273-274-79-119(212-141(245)101(43-23-28-57-173)195-146(250)109(67-93-36-17-15-18-37-93)202-133(237)88(7)192-161(265)130(90(9)230)223-158(122)262)155(259)198-100(42-22-27-56-172)138(242)206-112(70-96-72-185-84-191-96)149(253)211-116(76-227)152(256)200-107(54-65-272-12)143(247)193-99(41-21-26-55-171)137(241)204-111(69-95-50-52-97(233)53-51-95)147(251)196-105(47-33-62-188-169(181)182)139(243)203-108(66-85(3)4)145(249)210-117(77-228)153(257)205-110(148(252)214-120)68-94-38-19-16-20-39-94/h15-20,36-39,50-53,72,84-92,98-124,127-132,225-233H,13-14,21-35,40-49,54-71,73-83,171-176H2,1-12H3,(H,185,191)(H,190,239)(H,192,265)(H,193,247)(H,194,240)(H,195,250)(H,196,251)(H,197,255)(H,198,259)(H,199,260)(H,200,256)(H,201,263)(H,202,237)(H,203,243)(H,204,241)(H,205,257)(H,206,242)(H,207,264)(H,208,238)(H,209,244)(H,210,249)(H,211,253)(H,212,245)(H,213,246)(H,214,252)(H,215,258)(H,216,267)(H,217,266)(H,218,234)(H,219,261)(H,220,268)(H,221,248)(H,222,254)(H,223,262)(H,235,236)(H,270,271)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/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-,127-,128-,129-,130-,131-,132-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 207n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents by automated patchXpress planar patch clamp ...


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))
BDBM50115636
PNG
(CHEMBL3609073)
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](CCCCN)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=1/C170H278N54O47S7/c1-13-86(5)127-160(264)207-113(71-126(235)236)150(254)222-132(92(11)232)164(268)220-128(87(6)14-2)165(269)224-64-35-49-124(224)159(263)201-102(44-24-29-58-174)140(244)209-115(75-226)151(255)197-106(48-34-63-189-170(183)184)142(246)213-122-82-276-275-80-120-156(260)199-104(46-32-61-187-168(179)180)136(240)194-103(45-25-30-59-175)144(248)221-131(91(10)231)163(267)216-118(135(239)190-73-125(234)218-129(89(8)229)162(266)217-123(166(270)271)83-278-277-81-121(157(261)219-127)215-154(258)114(74-225)208-134(238)98(176)40-31-60-186-167(177)178)78-273-274-79-119(212-141(245)101(43-23-28-57-173)195-146(250)109(67-93-36-17-15-18-37-93)202-133(237)88(7)192-161(265)130(90(9)230)223-158(122)262)155(259)198-100(42-22-27-56-172)138(242)206-112(70-96-72-185-84-191-96)149(253)211-116(76-227)152(256)200-107(54-65-272-12)143(247)193-99(41-21-26-55-171)137(241)204-111(69-95-50-52-97(233)53-51-95)147(251)196-105(47-33-62-188-169(181)182)139(243)203-108(66-85(3)4)145(249)210-117(77-228)153(257)205-110(148(252)214-120)68-94-38-19-16-20-39-94/h15-20,36-39,50-53,72,84-92,98-124,127-132,225-233H,13-14,21-35,40-49,54-71,73-83,171-176H2,1-12H3,(H,185,191)(H,190,239)(H,192,265)(H,193,247)(H,194,240)(H,195,250)(H,196,251)(H,197,255)(H,198,259)(H,199,260)(H,200,256)(H,201,263)(H,202,237)(H,203,243)(H,204,241)(H,205,257)(H,206,242)(H,207,264)(H,208,238)(H,209,244)(H,210,249)(H,211,253)(H,212,245)(H,213,246)(H,214,252)(H,215,258)(H,216,267)(H,217,266)(H,218,234)(H,219,261)(H,220,268)(H,221,248)(H,222,254)(H,223,262)(H,235,236)(H,270,271)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/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-,127-,128-,129-,130-,131-,132-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.68E+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 by automated patchXpress planar patch clamp...


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))
BDBM50115636
PNG
(CHEMBL3609073)
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](CCCCN)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=1/C170H278N54O47S7/c1-13-86(5)127-160(264)207-113(71-126(235)236)150(254)222-132(92(11)232)164(268)220-128(87(6)14-2)165(269)224-64-35-49-124(224)159(263)201-102(44-24-29-58-174)140(244)209-115(75-226)151(255)197-106(48-34-63-189-170(183)184)142(246)213-122-82-276-275-80-120-156(260)199-104(46-32-61-187-168(179)180)136(240)194-103(45-25-30-59-175)144(248)221-131(91(10)231)163(267)216-118(135(239)190-73-125(234)218-129(89(8)229)162(266)217-123(166(270)271)83-278-277-81-121(157(261)219-127)215-154(258)114(74-225)208-134(238)98(176)40-31-60-186-167(177)178)78-273-274-79-119(212-141(245)101(43-23-28-57-173)195-146(250)109(67-93-36-17-15-18-37-93)202-133(237)88(7)192-161(265)130(90(9)230)223-158(122)262)155(259)198-100(42-22-27-56-172)138(242)206-112(70-96-72-185-84-191-96)149(253)211-116(76-227)152(256)200-107(54-65-272-12)143(247)193-99(41-21-26-55-171)137(241)204-111(69-95-50-52-97(233)53-51-95)147(251)196-105(47-33-62-188-169(181)182)139(243)203-108(66-85(3)4)145(249)210-117(77-228)153(257)205-110(148(252)214-120)68-94-38-19-16-20-39-94/h15-20,36-39,50-53,72,84-92,98-124,127-132,225-233H,13-14,21-35,40-49,54-71,73-83,171-176H2,1-12H3,(H,185,191)(H,190,239)(H,192,265)(H,193,247)(H,194,240)(H,195,250)(H,196,251)(H,197,255)(H,198,259)(H,199,260)(H,200,256)(H,201,263)(H,202,237)(H,203,243)(H,204,241)(H,205,257)(H,206,242)(H,207,264)(H,208,238)(H,209,244)(H,210,249)(H,211,253)(H,212,245)(H,213,246)(H,214,252)(H,215,258)(H,216,267)(H,217,266)(H,218,234)(H,219,261)(H,220,268)(H,221,248)(H,222,254)(H,223,262)(H,235,236)(H,270,271)(H4,177,178,186)(H4,179,180,187)(H4,181,182,188)(H4,183,184,189)/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-,127-,128-,129-,130-,131-,132-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 352n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human Kv1.3 expressed in CHOK1 cells assessed as inhibition of potassium currents after 10 mins by IonWorks Quattro patch clam...


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