Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50169820'   

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))	BDBM50169820 ((+/-trans endo)-3-(4-{[3-(2-Cyano-acetylamino)-4-m...) Show SMILES COC(=O)C1C2CCC(C=C2)C1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:9| Show InChI InChI=1S/C26H28N4O3/c1-16-12-14-28-25(24(16)30-21(31)11-13-27)29-15-17-3-5-18(6-4-17)22-19-7-9-20(10-8-19)23(22)26(32)33-2/h3-7,9,12,14,19-20,22-23H,8,10-11,15H2,1-2H3,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Human bradykinin receptor B1				Bioorg Med Chem Lett 15: 3925-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.133 BindingDB Entry DOI: 10.7270/Q2NC60Q0
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50169820 ((+/-trans endo)-3-(4-{[3-(2-Cyano-acetylamino)-4-m...) Show SMILES COC(=O)C1C2CCC(C=C2)C1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:9| Show InChI InChI=1S/C26H28N4O3/c1-16-12-14-28-25(24(16)30-21(31)11-13-27)29-15-17-3-5-18(6-4-17)22-19-7-9-20(10-8-19)23(22)26(32)33-2/h3-7,9,12,14,19-20,22-23H,8,10-11,15H2,1-2H3,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Human bradykinin receptor B1				Bioorg Med Chem Lett 15: 3925-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.133 BindingDB Entry DOI: 10.7270/Q2NC60Q0
					More data for this Ligand-Target Pair