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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 = 'BDBM50387809'   
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))		BDBM50387809
PNG
(CHEMBL2058369)
Show SMILES CCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C28H28N4O3S/c1-4-9-27-29-24-11-6-7-12-25(24)32(27)18-21-14-16-22(17-15-21)23-10-5-8-13-26(23)36(33,34)31-28-19(2)20(3)30-35-28/h5-8,10-17,31H,4,9,18H2,1-3H3
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Similars
Article
PubMed
n/an/a 22n/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