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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 = 'BDBM50407595'   
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


(Sus scrofa)		BDBM50407595
PNG
(CHEMBL342617)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O9/c1-15(2)11-21-28(43)34-22(12-17-14-32-19-8-6-5-7-18(17)19)29(44)35-23(13-25(40)41)30(45)33-20(9-10-24(38)39)27(42)37-26(16(3)4)31(46)36-21/h5-8,14-16,20-23,26,32H,9-13H2,1-4H3,(H,33,45)(H,34,43)(H,35,44)(H,36,46)(H,37,42)(H,38,39)(H,40,41)/t20-,21-,22+,23+,26+/m1/s1
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PubMed
n/an/a 140n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for binding inhibitory activity against Endothelin A receptor from porcine aortic smooth muscle membranes.

J Med Chem 38: 4309-24 (1995)


BindingDB Entry DOI: 10.7270/Q2D50M0H
More data for this
Ligand-Target Pair