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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bradykinin B1 receptor' and Ligand = 'BDBM50157516'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157516
PNG
(4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.20n/an/an/an/an/an/an/an/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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50157516
PNG
(4'-{(R)-1-[3-(2-cyano-acetylamino)-4-methyl-pyridi...)
Show SMILES COC(=O)c1ccc(C)cc1-c1ccc(cc1)[C@@H](C)Nc1nccc(C)c1NC(=O)CC#N |r|
Show InChI InChI=1S/C26H26N4O3/c1-16-5-10-21(26(32)33-4)22(15-16)20-8-6-19(7-9-20)18(3)29-25-24(17(2)12-14-28-25)30-23(31)11-13-27/h5-10,12,14-15,18H,11H2,1-4H3,(H,28,29)(H,30,31)/t18-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at bradykinin B1 receptor expresed in CHO cells assessed as inhibition of des-arg10-kallidin-induced increase in cytosolic calciu...


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