Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50209725'   

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))	BDBM50209725 ((R)-N-((R)-7-((isopropylamino)methyl)chroman-4-yl)...) Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C32H35N3O4S/c1-22(2)33-21-23-12-15-28-29(16-17-39-31(28)18-23)34-32(36)20-30(25-9-4-3-5-10-25)35-40(37,38)27-14-13-24-8-6-7-11-26(24)19-27/h3-15,18-19,22,29-30,33,35H,16-17,20-21H2,1-2H3,(H,34,36)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	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))	BDBM50209725 ((R)-N-((R)-7-((isopropylamino)methyl)chroman-4-yl)...) Show SMILES CC(C)NCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C32H35N3O4S/c1-22(2)33-21-23-12-15-28-29(16-17-39-31(28)18-23)34-32(36)20-30(25-9-4-3-5-10-25)35-40(37,38)27-14-13-24-8-6-7-11-26(24)19-27/h3-15,18-19,22,29-30,33,35H,16-17,20-21H2,1-2H3,(H,34,36)/t29-,30-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.9	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