Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50387811'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50387811 (CHEMBL2058371) Show SMILES CCCCc1nc2ccc(C)cc2n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C30H32N4O3S/c1-5-6-11-29-31-26-17-12-20(2)18-27(26)34(29)19-23-13-15-24(16-14-23)25-9-7-8-10-28(25)38(35,36)33-30-21(3)22(4)32-37-30/h7-10,12-18,33H,5-6,11,19H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/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
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