Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50001221'   

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)	BDBM50001221 (3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C48H63N7O10/c1-8-27(5)41(46(62)53-39(48(64)65)23-33-25-49-35-17-13-12-16-34(33)35)55-47(63)42(28(6)9-2)54-45(61)38(24-40(57)58)52-43(59)36(20-26(3)4)51-44(60)37(50-29(7)56)22-30-18-19-31-14-10-11-15-32(31)21-30/h10-19,21,25-28,36-39,41-42,49H,8-9,20,22-24H2,1-7H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t27-,28-,36-,37+,38-,39-,41-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes				J Med Chem 35: 3301-3 (1992) BindingDB Entry DOI: 10.7270/Q21C1XGJ
					More data for this Ligand-Target Pair
Endothelin receptor type B (RAT)	BDBM50001221 (3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C48H63N7O10/c1-8-27(5)41(46(62)53-39(48(64)65)23-33-25-49-35-17-13-12-16-34(33)35)55-47(63)42(28(6)9-2)54-45(61)38(24-40(57)58)52-43(59)36(20-26(3)4)51-44(60)37(50-29(7)56)22-30-18-19-31-14-10-11-15-32(31)21-30/h10-19,21,25-28,36-39,41-42,49H,8-9,20,22-24H2,1-7H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t27-,28-,36-,37+,38-,39-,41-,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Effective concentration against Endothelin B receptor from rat cerebellum				J Med Chem 36: 2585-94 (1993) BindingDB Entry DOI: 10.7270/Q2V69K6K
					More data for this Ligand-Target Pair