Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50254457'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254457 (CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Displacement of [3H]desArg from human B1 in human WI 38 cells				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50254457 (CHEMBL443207 | N-(2-chlorobenzyl)-2-(N-(3-chloro-4...) Show SMILES CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl Show InChI InChI=1S/C32H40Cl2N4O4S/c1-24(2)23-42-31-13-10-26(18-30(31)34)21-38(22-32(39)35-19-27-6-4-5-7-29(27)33)43(40,41)28-11-8-25(9-12-28)20-37-16-14-36(3)15-17-37/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Inc Curated by ChEMBL					Assay Description Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay				Bioorg Med Chem Lett 19: 119-22 (2008) Article DOI: 10.1016/j.bmcl.2008.11.005 BindingDB Entry DOI: 10.7270/Q2KH0N6M
					More data for this Ligand-Target Pair