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34 similar compounds to monomer 50013335

Wt: 1573.7
BDBM50001729
Wt: 2906.2
BDBM50013336
Wt: 2549.7
BDBM50013338
Wt: 2549.7
BDBM50016816
Wt: 2360.6
BDBM50013343
Wt: 1229.4
BDBM50033569
Wt: 1108.2
BDBM50030032
Wt: 1135.3
BDBM50030050
Wt: 1177.4
BDBM50030059
Wt: 1163.3
BDBM50030062
Wt: 1105.2
BDBM50030064
Wt: 1121.2
BDBM50030068
Wt: 2597.0
BDBM50049745
Wt: 753.8
BDBM50060225
Wt: 994.1
BDBM50075818
Displayed 1 to 15 (of 34 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 50001729,50013336,50013338,50016816,50013343,50033569,50030032,50030050,50030059,50030062,50030064,50030068,50049745,50060225,50075818   
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
Atrial natriuretic peptide receptor


(Homo sapiens)
BDBM50016816
PNG
(CHEMBL412913 | S-S-C-F-G-G-R-I-D-R-I-G-A-Q-S-G-L-G...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C107H165N35O34S2/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-64(30-31-76(109)148)92(163)138-71(47-144)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)96(167)139-73(49-146)98(169)133-67(37-57-21-14-11-15-22-57)95(166)130-62(24-17-33-118-106(113)114)91(162)136-70(104(175)176)38-58-26-28-59(147)29-27-58)50-177-178-51-75(140-99(170)72(48-145)137-87(158)60(108)46-143)101(172)132-66(36-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)93(164)142-85(54(6)9-2)103(174)135-69(40-83(155)156)97(168)131-63(94(165)141-84)25-18-34-119-107(115)116/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,166)(H,131,168)(H,132,172)(H,133,169)(H,134,171)(H,135,174)(H,136,162)(H,137,158)(H,138,163)(H,139,167)(H,140,170)(H,141,165)(H,142,164)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119)/t53-,54-,55+,60-,61-,62-,63-,64-,65+,66+,67-,68-,69-,70-,71+,72-,73-,74+,75?,84+,85+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.25n/an/an/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Apparent binding affinity for non-vasorelaxant receptor


Citation and Details
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(HUMAN)
BDBM50049745
PNG
(CHEMBL439307 | NPY-analogs)
Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C116H186N36O28S2/c1-13-21-73(97(165)137-75(23-17-43-131-113(123)124)101(169)141-79(93(121)161)51-65-31-39-69(157)40-32-65)135-99(167)77(25-19-45-133-115(127)128)139-111(179)91(61(11)153)151-107(175)85(147-103(171)81(47-57(5)6)143-105(173)83(53-87(119)159)145-109(177)89(59(9)15-3)149-95(163)71(117)49-63-27-35-67(155)36-28-63)55-181-182-56-86(148-104(172)82(48-58(7)8)144-106(174)84(54-88(120)160)146-110(178)90(60(10)16-4)150-96(164)72(118)50-64-29-37-68(156)38-30-64)108(176)152-92(62(12)154)112(180)140-78(26-20-46-134-116(129)130)100(168)136-74(22-14-2)98(166)138-76(24-18-44-132-114(125)126)102(170)142-80(94(122)162)52-66-33-41-70(158)42-34-66/h27-42,57-62,71-86,89-92,153-158H,13-26,43-56,117-118H2,1-12H3,(H2,119,159)(H2,120,160)(H2,121,161)(H2,122,162)(H,135,167)(H,136,168)(H,137,165)(H,138,166)(H,139,179)(H,140,180)(H,141,169)(H,142,170)(H,143,173)(H,144,174)(H,145,177)(H,146,178)(H,147,171)(H,148,172)(H,149,163)(H,150,164)(H,151,175)(H,152,176)(H4,123,124,131)(H4,125,126,132)(H4,127,128,133)(H4,129,130,134)/t59-,60-,61+,62+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,89-,90-,91-,92-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [125I]-PYY (SK-N-MC) from Neuropeptide Y receptor type 1 in the membranes prepared from cells


J Med Chem 39: 811-3 (1996)

More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(HUMAN)
BDBM50049745
PNG
(CHEMBL439307 | NPY-analogs)
Show SMILES CCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C116H186N36O28S2/c1-13-21-73(97(165)137-75(23-17-43-131-113(123)124)101(169)141-79(93(121)161)51-65-31-39-69(157)40-32-65)135-99(167)77(25-19-45-133-115(127)128)139-111(179)91(61(11)153)151-107(175)85(147-103(171)81(47-57(5)6)143-105(173)83(53-87(119)159)145-109(177)89(59(9)15-3)149-95(163)71(117)49-63-27-35-67(155)36-28-63)55-181-182-56-86(148-104(172)82(48-58(7)8)144-106(174)84(54-88(120)160)146-110(178)90(60(10)16-4)150-96(164)72(118)50-64-29-37-68(156)38-30-64)108(176)152-92(62(12)154)112(180)140-78(26-20-46-134-116(129)130)100(168)136-74(22-14-2)98(166)138-76(24-18-44-132-114(125)126)102(170)142-80(94(122)162)52-66-33-41-70(158)42-34-66/h27-42,57-62,71-86,89-92,153-158H,13-26,43-56,117-118H2,1-12H3,(H2,119,159)(H2,120,160)(H2,121,161)(H2,122,162)(H,135,167)(H,136,168)(H,137,165)(H,138,166)(H,139,179)(H,140,180)(H,141,169)(H,142,170)(H,143,173)(H,144,174)(H,145,177)(H,146,178)(H,147,171)(H,148,172)(H,149,163)(H,150,164)(H,151,175)(H,152,176)(H4,123,124,131)(H4,125,126,132)(H4,127,128,133)(H4,129,130,134)/t59-,60-,61+,62+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,89-,90-,91-,92-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.09E+3n/an/an/an/an/an/an/an/a



University of Cincinnati Medical Center

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [125I]-PYY(3-36) (SK-N-BE2) from Neuropeptide Y receptor type 2 in the membranes prepared from cells


J Med Chem 39: 811-3 (1996)

More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030032
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-K-C-NH2 | CHEMBL267950)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCCN)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N15O14S2/c1-23(61)53-32-22-76-75-21-31(37(48)66)59-39(68)27(7-3-4-14-46)55-40(69)28(17-24-10-12-25(74-2)13-11-24)57-41(70)29(19-36(64)65)54-35(63)20-52-38(67)26(8-5-15-51-45(49)50)56-43(72)33-9-6-16-60(33)44(73)30(18-34(47)62)58-42(32)71/h10-13,26-33H,3-9,14-22,46H2,1-2H3,(H2,47,62)(H2,48,66)(H,52,67)(H,53,61)(H,54,63)(H,55,69)(H,56,72)(H,57,70)(H,58,71)(H,59,68)(H,64,65)(H4,49,50,51)/t26-,27-,28+,29-,30-,31-,32-,33+/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.82E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030050
PNG
(Ac-C-I-P-R-G-D-(Y-OMe)R-C-NH2 | CHEMBL429529)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C47H74N16O13S2/c1-5-24(2)37-45(75)63-18-8-11-34(63)44(74)59-28(9-6-16-53-46(49)50)39(69)55-21-35(65)57-31(20-36(66)67)42(72)60-30(19-26-12-14-27(76-4)15-13-26)41(71)58-29(10-7-17-54-47(51)52)40(70)61-32(38(48)68)22-77-78-23-33(43(73)62-37)56-25(3)64/h12-15,24,28-34,37H,5-11,16-23H2,1-4H3,(H2,48,68)(H,55,69)(H,56,64)(H,57,65)(H,58,71)(H,59,74)(H,60,72)(H,61,70)(H,62,73)(H,66,67)(H4,49,50,53)(H4,51,52,54)/t24-,28+,29+,30-,31+,32+,33+,34-,37+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030050
PNG
(Ac-C-I-P-R-G-D-(Y-OMe)R-C-NH2 | CHEMBL429529)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C47H74N16O13S2/c1-5-24(2)37-45(75)63-18-8-11-34(63)44(74)59-28(9-6-16-53-46(49)50)39(69)55-21-35(65)57-31(20-36(66)67)42(72)60-30(19-26-12-14-27(76-4)15-13-26)41(71)58-29(10-7-17-54-47(51)52)40(70)61-32(38(48)68)22-77-78-23-33(43(73)62-37)56-25(3)64/h12-15,24,28-34,37H,5-11,16-23H2,1-4H3,(H2,48,68)(H,55,69)(H,56,64)(H,57,65)(H,58,71)(H,59,74)(H,60,72)(H,61,70)(H,62,73)(H,66,67)(H4,49,50,53)(H4,51,52,54)/t24-,28+,29+,30-,31+,32+,33+,34-,37+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030059
PNG
(Ac-C-I-P-R-G-D-(Y-O-n-butyl)-R-C-NH2 | CHEMBL40887...)
Show SMILES CCCCOc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)[C@@H](C)CC)cc1
Show InChI InChI=1S/C50H80N16O13S2/c1-5-7-21-79-30-16-14-29(15-17-30)22-33-44(74)61-32(12-9-19-57-50(54)55)43(73)64-35(41(51)71)25-80-81-26-36(59-28(4)67)46(76)65-40(27(3)6-2)48(78)66-20-10-13-37(66)47(77)62-31(11-8-18-56-49(52)53)42(72)58-24-38(68)60-34(23-39(69)70)45(75)63-33/h14-17,27,31-37,40H,5-13,18-26H2,1-4H3,(H2,51,71)(H,58,72)(H,59,67)(H,60,68)(H,61,74)(H,62,77)(H,63,75)(H,64,73)(H,65,76)(H,69,70)(H4,52,53,56)(H4,54,55,57)/t27-,31+,32+,33-,34+,35+,36+,37-,40+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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UniChem

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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030064
PNG
(Ac-C-I-P-R-G-D-F-R-C-NH2 | CHEMBL265425)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O12S2/c1-4-24(2)36-44(74)62-18-10-15-33(62)43(73)58-27(13-8-16-52-45(48)49)38(68)54-21-34(64)56-30(20-35(65)66)41(71)59-29(19-26-11-6-5-7-12-26)40(70)57-28(14-9-17-53-46(50)51)39(69)60-31(37(47)67)22-75-76-23-32(42(72)61-36)55-25(3)63/h5-7,11-12,24,27-33,36H,4,8-10,13-23H2,1-3H3,(H2,47,67)(H,54,68)(H,55,63)(H,56,64)(H,57,70)(H,58,73)(H,59,71)(H,60,69)(H,61,72)(H,65,66)(H4,48,49,52)(H4,50,51,53)/t24-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030062
PNG
(Ac-(D-Pen)-I-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL43846...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C49H78N16O13S2/c1-7-25(2)37-46(77)65-20-10-13-34(65)44(75)61-29(11-8-18-55-47(51)52)40(71)57-23-35(67)59-32(22-36(68)69)43(74)62-31(21-27-14-16-28(78-6)17-15-27)42(73)60-30(12-9-19-56-48(53)54)41(72)63-33(39(50)70)24-79-80-49(4,5)38(45(76)64-37)58-26(3)66/h14-17,25,29-34,37-38H,7-13,18-24H2,1-6H3,(H2,50,70)(H,57,71)(H,58,66)(H,59,67)(H,60,73)(H,61,75)(H,62,74)(H,63,72)(H,64,76)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t25-,29+,30+,31-,32+,33+,34-,37+,38-/m0/s1
PDB
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UniProtKB/SwissProt

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n/an/a 4.30E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030032
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-K-C-NH2 | CHEMBL267950)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCCN)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N15O14S2/c1-23(61)53-32-22-76-75-21-31(37(48)66)59-39(68)27(7-3-4-14-46)55-40(69)28(17-24-10-12-25(74-2)13-11-24)57-41(70)29(19-36(64)65)54-35(63)20-52-38(67)26(8-5-15-51-45(49)50)56-43(72)33-9-6-16-60(33)44(73)30(18-34(47)62)58-42(32)71/h10-13,26-33H,3-9,14-22,46H2,1-2H3,(H2,47,62)(H2,48,66)(H,52,67)(H,53,61)(H,54,63)(H,55,69)(H,56,72)(H,57,70)(H,58,71)(H,59,68)(H,64,65)(H4,49,50,51)/t26-,27-,28+,29-,30-,31-,32-,33+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030068
PNG
(Ac-C-I-P-R-G-D-Y-R-C-NH2 | CHEMBL405541)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O13S2/c1-4-23(2)36-44(75)62-17-7-10-33(62)43(74)58-27(8-5-15-52-45(48)49)38(69)54-20-34(65)56-30(19-35(66)67)41(72)59-29(18-25-11-13-26(64)14-12-25)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-76-77-22-32(42(73)61-36)55-24(3)63/h11-14,23,27-33,36,64H,4-10,15-22H2,1-3H3,(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,73)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin beta-5/Vitronectin receptor alpha


(Homo sapiens)
BDBM50030059
PNG
(Ac-C-I-P-R-G-D-(Y-O-n-butyl)-R-C-NH2 | CHEMBL40887...)
Show SMILES CCCCOc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)[C@@H](C)CC)cc1
Show InChI InChI=1S/C50H80N16O13S2/c1-5-7-21-79-30-16-14-29(15-17-30)22-33-44(74)61-32(12-9-19-57-50(54)55)43(73)64-35(41(51)71)25-80-81-26-36(59-28(4)67)46(76)65-40(27(3)6-2)48(78)66-20-10-13-37(66)47(77)62-31(11-8-18-56-49(52)53)42(72)58-24-38(68)60-34(23-39(69)70)45(75)63-33/h14-17,27,31-37,40H,5-13,18-26H2,1-4H3,(H2,51,71)(H,58,72)(H,59,67)(H,60,68)(H,61,74)(H,62,77)(H,63,75)(H,64,73)(H,65,76)(H,69,70)(H4,52,53,56)(H4,54,55,57)/t27-,31+,32+,33-,34+,35+,36+,37-,40+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha V-beta5 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030068
PNG
(Ac-C-I-P-R-G-D-Y-R-C-NH2 | CHEMBL405541)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O13S2/c1-4-23(2)36-44(75)62-17-7-10-33(62)43(74)58-27(8-5-15-52-45(48)49)38(69)54-20-34(65)56-30(19-35(66)67)41(72)59-29(18-25-11-13-26(64)14-12-25)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-76-77-22-32(42(73)61-36)55-24(3)63/h11-14,23,27-33,36,64H,4-10,15-22H2,1-3H3,(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,73)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030068
PNG
(Ac-C-I-P-R-G-D-Y-R-C-NH2 | CHEMBL405541)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O13S2/c1-4-23(2)36-44(75)62-17-7-10-33(62)43(74)58-27(8-5-15-52-45(48)49)38(69)54-20-34(65)56-30(19-35(66)67)41(72)59-29(18-25-11-13-26(64)14-12-25)40(71)57-28(9-6-16-53-46(50)51)39(70)60-31(37(47)68)21-76-77-22-32(42(73)61-36)55-24(3)63/h11-14,23,27-33,36,64H,4-10,15-22H2,1-3H3,(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,70)(H,61,73)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t23-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030032
PNG
(Ac-C-N-P-R-G-D-(Y-OMe)-K-C-NH2 | CHEMBL267950)
Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCCN)NC2=O)C(N)=O)NC(C)=O)cc1
Show InChI InChI=1S/C45H69N15O14S2/c1-23(61)53-32-22-76-75-21-31(37(48)66)59-39(68)27(7-3-4-14-46)55-40(69)28(17-24-10-12-25(74-2)13-11-24)57-41(70)29(19-36(64)65)54-35(63)20-52-38(67)26(8-5-15-51-45(49)50)56-43(72)33-9-6-16-60(33)44(73)30(18-34(47)62)58-42(32)71/h10-13,26-33H,3-9,14-22,46H2,1-2H3,(H2,47,62)(H2,48,66)(H,52,67)(H,53,61)(H,54,63)(H,55,69)(H,56,72)(H,57,70)(H,58,71)(H,59,68)(H,64,65)(H4,49,50,51)/t26-,27-,28+,29-,30-,31-,32-,33+/m1/s1
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n/an/a 1.56E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030064
PNG
(Ac-C-I-P-R-G-D-F-R-C-NH2 | CHEMBL265425)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O12S2/c1-4-24(2)36-44(74)62-18-10-15-33(62)43(73)58-27(13-8-16-52-45(48)49)38(68)54-21-34(64)56-30(20-35(65)66)41(71)59-29(19-26-11-6-5-7-12-26)40(70)57-28(14-9-17-53-46(50)51)39(69)60-31(37(47)67)22-75-76-23-32(42(72)61-36)55-25(3)63/h5-7,11-12,24,27-33,36H,4,8-10,13-23H2,1-3H3,(H2,47,67)(H,54,68)(H,55,63)(H,56,64)(H,57,70)(H,58,73)(H,59,71)(H,60,69)(H,61,72)(H,65,66)(H4,48,49,52)(H4,50,51,53)/t24-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030062
PNG
(Ac-(D-Pen)-I-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL43846...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C49H78N16O13S2/c1-7-25(2)37-46(77)65-20-10-13-34(65)44(75)61-29(11-8-18-55-47(51)52)40(71)57-23-35(67)59-32(22-36(68)69)43(74)62-31(21-27-14-16-28(78-6)17-15-27)42(73)60-30(12-9-19-56-48(53)54)41(72)63-33(39(50)70)24-79-80-49(4,5)38(45(76)64-37)58-26(3)66/h14-17,25,29-34,37-38H,7-13,18-24H2,1-6H3,(H2,50,70)(H,57,71)(H,58,66)(H,59,67)(H,60,73)(H,61,75)(H,62,74)(H,63,72)(H,64,76)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t25-,29+,30+,31-,32+,33+,34-,37+,38-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030059
PNG
(Ac-C-I-P-R-G-D-(Y-O-n-butyl)-R-C-NH2 | CHEMBL40887...)
Show SMILES CCCCOc1ccc(C[C@@H]2NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)[C@@H](C)CC)cc1
Show InChI InChI=1S/C50H80N16O13S2/c1-5-7-21-79-30-16-14-29(15-17-30)22-33-44(74)61-32(12-9-19-57-50(54)55)43(73)64-35(41(51)71)25-80-81-26-36(59-28(4)67)46(76)65-40(27(3)6-2)48(78)66-20-10-13-37(66)47(77)62-31(11-8-18-56-49(52)53)42(72)58-24-38(68)60-34(23-39(69)70)45(75)63-33/h14-17,27,31-37,40H,5-13,18-26H2,1-4H3,(H2,51,71)(H,58,72)(H,59,67)(H,60,68)(H,61,74)(H,62,77)(H,63,75)(H,64,73)(H,65,76)(H,69,70)(H4,52,53,56)(H4,54,55,57)/t27-,31+,32+,33-,34+,35+,36+,37-,40+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030050
PNG
(Ac-C-I-P-R-G-D-(Y-OMe)R-C-NH2 | CHEMBL429529)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C47H74N16O13S2/c1-5-24(2)37-45(75)63-18-8-11-34(63)44(74)59-28(9-6-16-53-46(49)50)39(69)55-21-35(65)57-31(20-36(66)67)42(72)60-30(19-26-12-14-27(76-4)15-13-26)41(71)58-29(10-7-17-54-47(51)52)40(70)61-32(38(48)68)22-77-78-23-33(43(73)62-37)56-25(3)64/h12-15,24,28-34,37H,5-11,16-23H2,1-4H3,(H2,48,68)(H,55,69)(H,56,64)(H,57,65)(H,58,71)(H,59,74)(H,60,72)(H,61,70)(H,62,73)(H,66,67)(H4,49,50,53)(H4,51,52,54)/t24-,28+,29+,30-,31+,32+,33+,34-,37+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))
BDBM50030062
PNG
(Ac-(D-Pen)-I-P-R-G-D-(Y-OMe)-R-C-NH2 | CHEMBL43846...)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H](NC(C)=O)C(C)(C)SSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O
Show InChI InChI=1S/C49H78N16O13S2/c1-7-25(2)37-46(77)65-20-10-13-34(65)44(75)61-29(11-8-18-55-47(51)52)40(71)57-23-35(67)59-32(22-36(68)69)43(74)62-31(21-27-14-16-28(78-6)17-15-27)42(73)60-30(12-9-19-56-48(53)54)41(72)63-33(39(50)70)24-79-80-49(4,5)38(45(76)64-37)58-26(3)66/h14-17,25,29-34,37-38H,7-13,18-24H2,1-6H3,(H2,50,70)(H,57,71)(H,58,66)(H,59,67)(H,60,73)(H,61,75)(H,62,74)(H,63,72)(H,64,76)(H,68,69)(H4,51,52,55)(H4,53,54,56)/t25-,29+,30+,31-,32+,33+,34-,37+,38-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha 2b-beta 3 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha5


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50030064
PNG
(Ac-C-I-P-R-G-D-F-R-C-NH2 | CHEMBL265425)
Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@@H](CSSC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C46H72N16O12S2/c1-4-24(2)36-44(74)62-18-10-15-33(62)43(73)58-27(13-8-16-52-45(48)49)38(68)54-21-34(64)56-30(20-35(65)66)41(71)59-29(19-26-11-6-5-7-12-26)40(70)57-28(14-9-17-53-46(50)51)39(69)60-31(37(47)67)22-75-76-23-32(42(72)61-36)55-25(3)63/h5-7,11-12,24,27-33,36H,4,8-10,13-23H2,1-3H3,(H2,47,67)(H,54,68)(H,55,63)(H,56,64)(H,57,70)(H,58,73)(H,59,71)(H,60,69)(H,61,72)(H,65,66)(H4,48,49,52)(H4,50,51,53)/t24-,27+,28+,29-,30+,31+,32+,33-,36+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Telios Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against integrin alpha5-beta1 in enzyme linked immunosorbent assay (ELISA)


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50060225
PNG
((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C30H43N9O10S2/c31-17(11-15-5-7-16(40)8-6-15)24(43)35-18(3-1-9-34-30(32)33)25(44)37-20-13-50-51-14-21(29(48)49)38-27(46)22-4-2-10-39(22)28(47)19(12-23(41)42)36-26(20)45/h5-8,17-22,40H,1-4,9-14,31H2,(H,35,43)(H,36,45)(H,37,44)(H,38,46)(H,41,42)(H,48,49)(H4,32,33,34)/t17-,18-,19-,20-,21-,22-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.


J Med Chem 40: 3359-68 (1997)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50001729
PNG
(CHEMBL3238024)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C65H88N16O22S4/c1-31-52(89)78-51(32(2)83)61(98)73-39(23-48(67)85)63(100)79-18-6-11-45(79)59(96)71-37(24-50(87)88)54(91)77-44(65(102)103)30-107-106-28-42-58(95)74-40(26-82)55(92)72-38(22-34-14-16-35(84)17-15-34)62(99)81-20-8-13-47(81)64(101)80-19-7-12-46(80)60(97)76-43(29-105-104-27-41(56(93)75-42)69-49(86)25-66)57(94)70-36(53(90)68-31)21-33-9-4-3-5-10-33/h3-5,9-10,14-17,31-32,36-47,51,82-84H,6-8,11-13,18-30,66H2,1-2H3,(H2,67,85)(H,68,90)(H,69,86)(H,70,94)(H,71,96)(H,72,92)(H,73,98)(H,74,95)(H,75,93)(H,76,97)(H,77,91)(H,78,89)(H,87,88)(H,102,103)/t31-,32+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1
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n/an/a 770n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibition of rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes by voltage clamp technique


J Med Chem 57: 3511-21 (2014)

More data for this
Ligand-Target Pair
Vasopressin V2 Receptor


(Rattus norvegicus (Rat))
BDBM50075818
PNG
(CHEMBL157988 | Mpa1,D-Phe2,Sar7AVT)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C41H63N13O12S2/c1-4-22(2)34-39(65)50-25(12-13-29(42)55)36(62)51-27(18-30(43)56)37(63)52-28(21-68-67-16-14-31(57)49-26(38(64)53-34)17-23-9-6-5-7-10-23)40(66)54(3)20-32(58)48-24(11-8-15-46-41(44)45)35(61)47-19-33(59)60/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,58)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,59,60)(H4,44,45,46)/t22-,24-,25+,26-,27-,28-,34-/m0/s1
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n/an/an/a 421n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to rat kidney Vasopressin V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Oxytocin receptor


(HEK293)
BDBM50075818
PNG
(CHEMBL157988 | Mpa1,D-Phe2,Sar7AVT)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C41H63N13O12S2/c1-4-22(2)34-39(65)50-25(12-13-29(42)55)36(62)51-27(18-30(43)56)37(63)52-28(21-68-67-16-14-31(57)49-26(38(64)53-34)17-23-9-6-5-7-10-23)40(66)54(3)20-32(58)48-24(11-8-15-46-41(44)45)35(61)47-19-33(59)60/h5-7,9-10,22,24-28,34H,4,8,11-21H2,1-3H3,(H2,42,55)(H2,43,56)(H,47,61)(H,48,58)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,59,60)(H4,44,45,46)/t22-,24-,25+,26-,27-,28-,34-/m0/s1
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n/an/an/a 8n/an/an/an/an/a



Albert Szent-Gy£rgyi Medical University

Curated by ChEMBL


Assay Description
Compound was evaluated for its dissociation constant (Kd) to guinea pig myometrial Oxytocin receptor


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor B


(Bos taurus)
BDBM50013336
PNG
(CHEMBL412785 | r-ANF (99-126)(Atrial Natriuretic F...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C122H193N41O38S2/c1-10-61(7)95-116(198)142-49-90(173)143-63(9)97(179)147-73(34-35-87(124)170)104(186)157-81(53-165)101(183)141-50-92(175)145-74(40-59(3)4)99(181)140-51-93(176)146-85(114(196)154-78(45-88(125)171)109(191)159-82(54-166)111(193)153-77(43-65-24-16-13-17-25-65)108(190)149-70(27-19-37-135-120(128)129)102(184)156-80(118(200)201)44-66-30-32-67(169)33-31-66)57-202-203-58-86(161-113(195)84(56-168)160-112(194)83(55-167)158-103(185)71(28-20-38-136-121(130)131)148-107(189)75(41-60(5)6)151-98(180)68(123)52-164)115(197)152-76(42-64-22-14-12-15-23-64)100(182)139-47-89(172)138-48-91(174)144-69(26-18-36-134-119(126)127)105(187)163-96(62(8)11-2)117(199)155-79(46-94(177)178)110(192)150-72(106(188)162-95)29-21-39-137-122(132)133/h12-17,22-25,30-33,59-63,68-86,95-96,164-169H,10-11,18-21,26-29,34-58,123H2,1-9H3,(H2,124,170)(H2,125,171)(H,138,172)(H,139,182)(H,140,181)(H,141,183)(H,142,198)(H,143,173)(H,144,174)(H,145,175)(H,146,176)(H,147,179)(H,148,189)(H,149,190)(H,150,192)(H,151,180)(H,152,197)(H,153,193)(H,154,196)(H,155,199)(H,156,184)(H,157,186)(H,158,185)(H,159,191)(H,160,194)(H,161,195)(H,162,188)(H,163,187)(H,177,178)(H,200,201)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t61-,62-,63-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,95-,96-/m0/s1
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n/an/a 0.0430n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor B


(Bos taurus)
BDBM50013338
PNG
(CHEMBL413659 | r-ANF (103-126)(Atrial Natriuretic ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C107H165N35O34S2/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-64(30-31-76(109)148)92(163)138-71(47-144)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)96(167)139-73(49-146)98(169)133-67(37-57-21-14-11-15-22-57)95(166)130-62(24-17-33-118-106(113)114)91(162)136-70(104(175)176)38-58-26-28-59(147)29-27-58)50-177-178-51-75(140-99(170)72(48-145)137-87(158)60(108)46-143)101(172)132-66(36-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)93(164)142-85(54(6)9-2)103(174)135-69(40-83(155)156)97(168)131-63(94(165)141-84)25-18-34-119-107(115)116/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,166)(H,131,168)(H,132,172)(H,133,169)(H,134,171)(H,135,174)(H,136,162)(H,137,158)(H,138,163)(H,139,167)(H,140,170)(H,141,165)(H,142,164)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119)/t53-,54-,55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74-,75-,84-,85-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor C


(Mus musculus)
BDBM50013343
PNG
(CHEMBL2371227 | deamino [Mpr105,Cys121] r-ANF (99-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C101H154N32O30S2/c1-8-52(5)81-96(160)117-45-76(141)118-54(7)83(147)123-62(30-31-72(102)137)88(152)130-69(48-134)86(150)116-46-78(143)121-63(37-51(3)4)84(148)115-47-79(144)122-71(95(159)127-66(41-73(103)138)92(156)131-70(49-135)94(158)126-65(39-56-21-14-11-15-22-56)91(155)124-60(24-17-34-111-100(106)107)87(151)129-68(98(162)163)40-57-26-28-58(136)29-27-57)50-165-164-36-32-74(139)120-64(38-55-19-12-10-13-20-55)85(149)114-43-75(140)113-44-77(142)119-59(23-16-33-110-99(104)105)89(153)133-82(53(6)9-2)97(161)128-67(42-80(145)146)93(157)125-61(90(154)132-81)25-18-35-112-101(108)109/h10-15,19-22,26-29,51-54,59-71,81-82,134-136H,8-9,16-18,23-25,30-50H2,1-7H3,(H2,102,137)(H2,103,138)(H,113,140)(H,114,149)(H,115,148)(H,116,150)(H,117,160)(H,118,141)(H,119,142)(H,120,139)(H,121,143)(H,122,144)(H,123,147)(H,124,155)(H,125,157)(H,126,158)(H,127,159)(H,128,161)(H,129,151)(H,130,152)(H,131,156)(H,132,154)(H,133,153)(H,145,146)(H,162,163)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,81-,82-/m0/s1
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n/an/a 0.220n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor C


(Mus musculus)
BDBM50013336
PNG
(CHEMBL412785 | r-ANF (99-126)(Atrial Natriuretic F...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C122H193N41O38S2/c1-10-61(7)95-116(198)142-49-90(173)143-63(9)97(179)147-73(34-35-87(124)170)104(186)157-81(53-165)101(183)141-50-92(175)145-74(40-59(3)4)99(181)140-51-93(176)146-85(114(196)154-78(45-88(125)171)109(191)159-82(54-166)111(193)153-77(43-65-24-16-13-17-25-65)108(190)149-70(27-19-37-135-120(128)129)102(184)156-80(118(200)201)44-66-30-32-67(169)33-31-66)57-202-203-58-86(161-113(195)84(56-168)160-112(194)83(55-167)158-103(185)71(28-20-38-136-121(130)131)148-107(189)75(41-60(5)6)151-98(180)68(123)52-164)115(197)152-76(42-64-22-14-12-15-23-64)100(182)139-47-89(172)138-48-91(174)144-69(26-18-36-134-119(126)127)105(187)163-96(62(8)11-2)117(199)155-79(46-94(177)178)110(192)150-72(106(188)162-95)29-21-39-137-122(132)133/h12-17,22-25,30-33,59-63,68-86,95-96,164-169H,10-11,18-21,26-29,34-58,123H2,1-9H3,(H2,124,170)(H2,125,171)(H,138,172)(H,139,182)(H,140,181)(H,141,183)(H,142,198)(H,143,173)(H,144,174)(H,145,175)(H,146,176)(H,147,179)(H,148,189)(H,149,190)(H,150,192)(H,151,180)(H,152,197)(H,153,193)(H,154,196)(H,155,199)(H,156,184)(H,157,186)(H,158,185)(H,159,191)(H,160,194)(H,161,195)(H,162,188)(H,163,187)(H,177,178)(H,200,201)(H4,126,127,134)(H4,128,129,135)(H4,130,131,136)(H4,132,133,137)/t61-,62-,63-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82-,83-,84-,85-,86-,95-,96-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor B


(Bos taurus)
BDBM50013343
PNG
(CHEMBL2371227 | deamino [Mpr105,Cys121] r-ANF (99-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)[C@@H](C)CC
Show InChI InChI=1S/C101H154N32O30S2/c1-8-52(5)81-96(160)117-45-76(141)118-54(7)83(147)123-62(30-31-72(102)137)88(152)130-69(48-134)86(150)116-46-78(143)121-63(37-51(3)4)84(148)115-47-79(144)122-71(95(159)127-66(41-73(103)138)92(156)131-70(49-135)94(158)126-65(39-56-21-14-11-15-22-56)91(155)124-60(24-17-34-111-100(106)107)87(151)129-68(98(162)163)40-57-26-28-58(136)29-27-57)50-165-164-36-32-74(139)120-64(38-55-19-12-10-13-20-55)85(149)114-43-75(140)113-44-77(142)119-59(23-16-33-110-99(104)105)89(153)133-82(53(6)9-2)97(161)128-67(42-80(145)146)93(157)125-61(90(154)132-81)25-18-35-112-101(108)109/h10-15,19-22,26-29,51-54,59-71,81-82,134-136H,8-9,16-18,23-25,30-50H2,1-7H3,(H2,102,137)(H2,103,138)(H,113,140)(H,114,149)(H,115,148)(H,116,150)(H,117,160)(H,118,141)(H,119,142)(H,120,139)(H,121,143)(H,122,144)(H,123,147)(H,124,155)(H,125,157)(H,126,158)(H,127,159)(H,128,161)(H,129,151)(H,130,152)(H,131,156)(H,132,154)(H,133,153)(H,145,146)(H,162,163)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70-,71-,81-,82-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites on bovine adrenal zona glomerulosa cell membranes...


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50060225
PNG
((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O
Show InChI InChI=1S/C30H43N9O10S2/c31-17(11-15-5-7-16(40)8-6-15)24(43)35-18(3-1-9-34-30(32)33)25(44)37-20-13-50-51-14-21(29(48)49)38-27(46)22-4-2-10-39(22)28(47)19(12-23(41)42)36-26(20)45/h5-8,17-22,40H,1-4,9-14,31H2,(H,35,43)(H,36,45)(H,37,44)(H,38,46)(H,41,42)(H,48,49)(H4,32,33,34)/t17-,18-,19-,20-,21-,22-/m0/s1
Reactome pathway
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.


J Med Chem 40: 3359-68 (1997)

More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033569
PNG
(CHEMBL407045 | Tyr-Ser-Phe-Lys-Asp-cyclo[Cys-Pro-L...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H80N14O15S2/c1-29(2)22-36-46(75)66-40(50(79)61-35(53(82)83)13-8-20-59-54(57)58)27-84-85-28-41(52(81)68-21-9-14-42(68)51(80)64-36)67-48(77)38(25-43(71)72)63-45(74)34(12-6-7-19-55)60-47(76)37(24-30-10-4-3-5-11-30)62-49(78)39(26-69)65-44(73)33(56)23-31-15-17-32(70)18-16-31/h3-5,10-11,15-18,29,33-42,69-70H,6-9,12-14,19-28,55-56H2,1-2H3,(H,60,76)(H,61,79)(H,62,78)(H,63,74)(H,64,80)(H,65,73)(H,66,75)(H,67,77)(H,71,72)(H,82,83)(H4,57,58,59)/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Release of beta-glucuronidase from human polymorphonuclear leukocytes(PMN)


Citation and Details
More data for this
Ligand-Target Pair
Atrial natriuretic peptide receptor C


(Mus musculus)
BDBM50013338
PNG
(CHEMBL413659 | r-ANF (103-126)(Atrial Natriuretic ...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)[C@@H](C)CC
Show InChI InChI=1S/C107H165N35O34S2/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-64(30-31-76(109)148)92(163)138-71(47-144)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)96(167)139-73(49-146)98(169)133-67(37-57-21-14-11-15-22-57)95(166)130-62(24-17-33-118-106(113)114)91(162)136-70(104(175)176)38-58-26-28-59(147)29-27-58)50-177-178-51-75(140-99(170)72(48-145)137-87(158)60(108)46-143)101(172)132-66(36-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)93(164)142-85(54(6)9-2)103(174)135-69(40-83(155)156)97(168)131-63(94(165)141-84)25-18-34-119-107(115)116/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,166)(H,131,168)(H,132,172)(H,133,169)(H,134,171)(H,135,174)(H,136,162)(H,137,158)(H,138,163)(H,139,167)(H,140,170)(H,141,165)(H,142,164)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119)/t53-,54-,55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71+,72-,73-,74-,75-,84-,85-/m0/s1
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n/an/a 0.350n/an/an/an/an/an/a



Bio Mega Laboratories

Curated by ChEMBL


Assay Description
Binding affinity was determined based on the displacement of [125]r-ANF (99-126) from binding sites onmouse fibroblasts (NIH 3T3) cells (Atrionatriur...


Citation and Details
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50033569
PNG
(CHEMBL407045 | Tyr-Ser-Phe-Lys-Asp-cyclo[Cys-Pro-L...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C54H80N14O15S2/c1-29(2)22-36-46(75)66-40(50(79)61-35(53(82)83)13-8-20-59-54(57)58)27-84-85-28-41(52(81)68-21-9-14-42(68)51(80)64-36)67-48(77)38(25-43(71)72)63-45(74)34(12-6-7-19-55)60-47(76)37(24-30-10-4-3-5-11-30)62-49(78)39(26-69)65-44(73)33(56)23-31-15-17-32(70)18-16-31/h3-5,10-11,15-18,29,33-42,69-70H,6-9,12-14,19-28,55-56H2,1-2H3,(H,60,76)(H,61,79)(H,62,78)(H,63,74)(H,64,80)(H,65,73)(H,66,75)(H,67,77)(H,71,72)(H,82,83)(H4,57,58,59)/t33-,34-,35-,36-,37-,38-,39-,40-,41+,42+/m0/s1
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n/an/an/an/a 5.00E+5n/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Abilitiy to induce shape change (polarization) in human polymorphonuclear leukocytes (PMN)


Citation and Details
More data for this
Ligand-Target Pair