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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50369271'   
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
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50369271
PNG
(CHEMBL1793934)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H67N7O10/c1-9-30(5)43(47(63)55-39(51(67)68)26-35-28-52-37-24-18-17-23-36(35)37)57-48(64)44(31(6)10-2)56-46(62)40(27-41(60)61)58(8)50(66)38(25-29(3)4)54-49(65)45(53-32(7)59)42(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,28-31,38-40,42-45,52H,9-10,25-27H2,1-8H3,(H,53,59)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,60,61)(H,67,68)/t30-,31-,38-,39-,40-,43-,44-,45-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
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Similars
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of binding to Endothelin A receptor of rabbit renal vascular smooth muscle cells

J Med Chem 40: 2228-40 (1997)


Article DOI: 10.1021/jm970161m
BindingDB Entry DOI: 10.7270/Q24T6K1W
More data for this
Ligand-Target Pair