Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50209736'   

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))	BDBM50209736 ((R)-N-((R)-7-((isobutylamino)methyl)chroman-4-yl)-...) Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C33H37N3O4S/c1-23(2)21-34-22-24-12-15-29-30(16-17-40-32(29)18-24)35-33(37)20-31(26-9-4-3-5-10-26)36-41(38,39)28-14-13-25-8-6-7-11-27(25)19-28/h3-15,18-19,23,30-31,34,36H,16-17,20-22H2,1-2H3,(H,35,37)/t30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells				J Med Chem 50: 2200-12 (2007) Article DOI: 10.1021/jm070055c BindingDB Entry DOI: 10.7270/Q2MS3SG2
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50209736 ((R)-N-((R)-7-((isobutylamino)methyl)chroman-4-yl)-...) Show SMILES CC(C)CNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C33H37N3O4S/c1-23(2)21-34-22-24-12-15-29-30(16-17-40-32(29)18-24)35-33(37)20-31(26-9-4-3-5-10-26)36-41(38,39)28-14-13-25-8-6-7-11-27(25)19-28/h3-15,18-19,23,30-31,34,36H,16-17,20-22H2,1-2H3,(H,35,37)/t30-,31-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at human bradykinin B1 receptor expressed in CHOD cellsassessed as effect on DAK-induced calcium flux				J Med Chem 50: 2200-12 (2007) Article DOI: 10.1021/jm070055c BindingDB Entry DOI: 10.7270/Q2MS3SG2
					More data for this Ligand-Target Pair