Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50157519'   

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))	BDBM50157519 (4'-[(3-pentanoylamino-pyridin-2-ylamino)-methyl]-b...) Show SMILES CCCCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC Show InChI InChI=1S/C25H27N3O3/c1-3-4-11-23(29)28-22-10-7-16-26-24(22)27-17-18-12-14-19(15-13-18)20-8-5-6-9-21(20)25(30)31-2/h5-10,12-16H,3-4,11,17H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against human Bradykinin receptor B1 expressed in chinese hamster ovary cells				Bioorg Med Chem Lett 15: 2385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.077 BindingDB Entry DOI: 10.7270/Q2FF3RW1
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50157519 (4'-[(3-pentanoylamino-pyridin-2-ylamino)-methyl]-b...) Show SMILES CCCCC(=O)Nc1cccnc1NCc1ccc(cc1)-c1ccccc1C(=O)OC Show InChI InChI=1S/C25H27N3O3/c1-3-4-11-23(29)28-22-10-7-16-26-24(22)27-17-18-12-14-19(15-13-18)20-8-5-6-9-21(20)25(30)31-2/h5-10,12-16H,3-4,11,17H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]des-arg10, leu9-kallidin from human bradykinin B1 receptor expresed in CHO cells				J Med Chem 47: 6439-42 (2004) Article DOI: 10.1021/jm049394l BindingDB Entry DOI: 10.7270/Q22B8XHM
					More data for this Ligand-Target Pair