Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50108193'   

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 receptor type B (Homo sapiens (Human))	BDBM50108193 (2-[2-Benzo[1,3]dioxol-5-yl-2-(6-carbamoyl-1-methyl...) Show SMILES Cn1cc(C(C(=O)NS(=O)(=O)c2ccccc2C(O)=O)c2ccc3OCOc3c2)c2ccc(cc12)C(N)=O Show InChI InChI=1S/C26H21N3O8S/c1-29-12-18(16-8-6-15(24(27)30)10-19(16)29)23(14-7-9-20-21(11-14)37-13-36-20)25(31)28-38(34,35)22-5-3-2-4-17(22)26(32)33/h2-12,23H,13H2,1H3,(H2,27,30)(H,28,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	846	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Binding affinity towards human cloned endothelin B receptor by [125I]-ET-1 displacement.				Bioorg Med Chem Lett 12: 125-8 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KG6
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