Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50293896'
TargetB2 bradykinin receptor(Homo sapiens (Human))
Jerini AG

Curated by ChEMBL
LigandPNGBDBM50293896(CHEMBL552296 | N-{5-chloro-4-[2-methyl-4-(2-methyl...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNS(C)(=O)=O)c2n1
Show InChI InChI=1S/C22H22ClN5O3S/c1-14-9-17(20-7-8-25-28(20)2)16-5-4-6-21(22(16)27-14)31-13-18-15(10-24-12-19(18)23)11-26-32(3,29)30/h4-10,12,26H,11,13H2,1-3H3
Affinity DataIC50: 14nMAssay Description:Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetB2 bradykinin receptor(Homo sapiens (Human))
Jerini AG

Curated by ChEMBL
LigandPNGBDBM50293896(CHEMBL552296 | N-{5-chloro-4-[2-methyl-4-(2-methyl...)
Show SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3CNS(C)(=O)=O)c2n1
Show InChI InChI=1S/C22H22ClN5O3S/c1-14-9-17(20-7-8-25-28(20)2)16-5-4-6-21(22(16)27-14)31-13-18-15(10-24-12-19(18)23)11-26-32(3,29)30/h4-10,12,26H,11,13H2,1-3H3
Affinity DataIC50: 110nMAssay Description:Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilizationMore data for this Ligand-Target Pair