Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50093980'   

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 (RAT)	BDBM50093980 (2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxo...) Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:27:26:29:22.21.23,27:22:29:26.28.25,23:24:28:22.21.27,THB:23:22:28:24.29.25,25:26:21:24.29.23,25:24:21:26.28.27| Show InChI InChI=1S/C29H29ClN2O4/c30-23-11-25-24(35-16-36-25)10-21(23)9-22-26(20-4-2-1-3-5-20)31-32(27(22)28(33)34)15-29-12-17-6-18(13-29)8-19(7-17)14-29/h1-5,10-11,17-19H,6-9,12-16H2,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel Curated by ChEMBL					Assay Description In vitro binding affinity to endothelin B receptor in rat cerebellum				Bioorg Med Chem Lett 10: 2575-8 (2001) BindingDB Entry DOI: 10.7270/Q22R3QW9
					More data for this Ligand-Target Pair