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BDBM50407622 CHEMBL2370830

SMILES: [H][C@@]12CCCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC2=O)C(C)C

InChI Key: InChIKey=COTPNFPJQWKMIM-HOIWYFOJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407622   
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)		BDBM50407622
PNG
(CHEMBL2370830)
Show SMILES [H][C@@]12CCCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC2=O)C(C)C
Show InChI InChI=1S/C32H44N6O7/c1-17(2)13-22-28(41)34-23(14-19-16-33-21-10-6-5-9-20(19)21)29(42)36-24(15-26(39)40)32(45)38-12-8-7-11-25(38)30(43)37-27(18(3)4)31(44)35-22/h5-6,9-10,16-18,22-25,27,33H,7-8,11-15H2,1-4H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t22-,23+,24+,25+,27+/m1/s1
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PubMed
n/an/a 13n/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