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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 = 'BDBM50344117'   
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))
BDBM50344117
PNG
(CHEMBL1777975 | N-((R)-6-((cyclopentylamino)methyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CCCC3)ccc12 |r|
Show InChI InChI=1S/C29H38N4O4S/c1-20-9-12-24(13-10-20)38(36,37)33-16-15-30-29(35)27(33)18-28(34)32-26-8-4-5-22-17-21(11-14-25(22)26)19-31-23-6-2-3-7-23/h9-14,17,23,26-27,31H,2-8,15-16,18-19H2,1H3,(H,30,35)(H,32,34)/t26-,27-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.520n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50344117
PNG
(CHEMBL1777975 | N-((R)-6-((cyclopentylamino)methyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNC3CCCC3)ccc12 |r|
Show InChI InChI=1S/C29H38N4O4S/c1-20-9-12-24(13-10-20)38(36,37)33-16-15-30-29(35)27(33)18-28(34)32-26-8-4-5-22-17-21(11-14-25(22)26)19-31-23-6-2-3-7-23/h9-14,17,23,26-27,31H,2-8,15-16,18-19H2,1H3,(H,30,35)(H,32,34)/t26-,27-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...


Bioorg Med Chem Lett 21: 3384-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.115
BindingDB Entry DOI: 10.7270/Q2FX79R6
More data for this
Ligand-Target Pair