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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 = 'BDBM50387806'   
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))		BDBM50387806
PNG
(CHEMBL2058366)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(Cn3cnc4ccccc34)cc2)c1C
Show InChI InChI=1S/C25H22N4O3S/c1-17-18(2)27-32-25(17)28-33(30,31)24-10-6-3-7-21(24)20-13-11-19(12-14-20)15-29-16-26-22-8-4-5-9-23(22)29/h3-14,16,28H,15H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at human endothelin receptor subtype A expressed in CHO-K1 cells

Bioorg Med Chem 20: 4661-7 (2012)


Article DOI: 10.1016/j.bmc.2012.06.011
BindingDB Entry DOI: 10.7270/Q2G73FS6
More data for this
Ligand-Target Pair