Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50169834'   

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))	BDBM50169834 (2-Cyano-N-(4-methyl-2-{4-[(1S,6S)-6-(3-methyl-[1,2...) Show SMILES Cc1noc(n1)[C@H]1CC=CC[C@@H]1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:9| Show InChI InChI=1S/C25H26N6O2/c1-16-12-14-27-24(23(16)30-22(32)11-13-26)28-15-18-7-9-19(10-8-18)20-5-3-4-6-21(20)25-29-17(2)31-33-25/h3-4,7-10,12,14,20-21H,5-6,11,15H2,1-2H3,(H,27,28)(H,30,32)/t20-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	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
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