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BDBM50407601 CHEMBL137716

SMILES: COC(=O)n1cc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(O)=O)NC2=O)C(C)C)c2ccccc12

InChI Key: InChIKey=NMJRWIHVPCKZOY-YYMDCFOUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50407601   
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)		BDBM50407601
PNG
(CHEMBL137716)
Show SMILES COC(=O)n1cc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(O)=O)NC2=O)C(C)C)c2ccccc12
Show InChI InChI=1S/C33H44N6O9/c1-17(2)13-21-28(42)34-22(14-19-16-39(33(47)48-5)24-10-7-6-9-20(19)24)29(43)36-23(15-26(40)41)32(46)38-12-8-11-25(38)30(44)37-27(18(3)4)31(45)35-21/h6-7,9-10,16-18,21-23,25,27H,8,11-15H2,1-5H3,(H,34,42)(H,35,45)(H,36,43)(H,37,44)(H,40,41)/t21-,22+,23+,25-,27+/m1/s1
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Similars
PubMed
n/an/a 29n/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