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BDBM50000567 CHEMBL287980::Sodium; ({2-[2-({2-[(azepane-1-carbonyl)-amino]-4-methyl-pentanoyl}-methyl-amino)-3-(1H-indol-3-yl)-propionylamino]-3-pyridin-2-yl-propionyl}-methyl-amino)-acetate

SMILES: CC(C)C[C@@H](NC(=O)N1CCCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)N(C)CC([O-])=O

InChI Key: InChIKey=CECBPUNEWWTHGI-OLUZHXLYSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000567   
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
Endothelin receptor ET-A


(Sus scrofa)		BDBM50000567
PNG
(CHEMBL287980 | Sodium; ({2-[2-({2-[(azepane-1-carb...)
Show SMILES CC(C)C[C@@H](NC(=O)N1CCCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)N(C)CC([O-])=O
Show InChI InChI=1S/C36H49N7O6/c1-24(2)19-29(40-36(49)43-17-11-5-6-12-18-43)35(48)42(4)31(20-25-22-38-28-15-8-7-14-27(25)28)33(46)39-30(21-26-13-9-10-16-37-26)34(47)41(3)23-32(44)45/h7-10,13-16,22,24,29-31,38H,5-6,11-12,17-21,23H2,1-4H3,(H,39,46)(H,40,49)(H,44,45)/p-1/t29-,30-,31+/m1/s1
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Endothelin A receptor in porcine aortic membranes

J Med Chem 35: 1493-508 (1992)


BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair