Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50108196'   

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))	BDBM50108196 (3-[1-Benzo[1,3]dioxol-5-yl-2-(4-isopropyl-benzenes...) Show SMILES CCn1cc(C(C(=O)NS(=O)(=O)c2ccc(cc2)C(C)C)c2ccc3OCOc3c2)c2ccc(cc12)C(N)=O Show InChI InChI=1S/C29H29N3O6S/c1-4-32-15-23(22-11-7-20(28(30)33)13-24(22)32)27(19-8-12-25-26(14-19)38-16-37-25)29(34)31-39(35,36)21-9-5-18(6-10-21)17(2)3/h5-15,17,27H,4,16H2,1-3H3,(H2,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
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