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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 = 'BDBM50045263'   
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))		BDBM50045263
PNG
(Ac-D-Dip-Glu-Asp-Ile-Ile-Trp | CHEMBL407269)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)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/C49H61N7O12/c1-6-27(3)41(46(64)54-37(49(67)68)24-32-26-50-34-21-15-14-20-33(32)34)56-47(65)42(28(4)7-2)55-45(63)36(25-39(60)61)53-44(62)35(22-23-38(58)59)52-48(66)43(51-29(5)57)40(30-16-10-8-11-17-30)31-18-12-9-13-19-31/h8-21,26-28,35-37,40-43,50H,6-7,22-25H2,1-5H3,(H,51,57)(H,52,66)(H,53,62)(H,54,64)(H,55,63)(H,56,65)(H,58,59)(H,60,61)(H,67,68)/t27-,28-,35-,36-,37-,41-,42-,43+/m0/s1
PDB

UniProtKB/SwissProt

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Similars
PubMed
n/an/an/an/a 25n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells

J Med Chem 36: 2585-94 (1993)


BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair