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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 = 'BDBM50362364'   
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))
BDBM50362364
PNG
(CHEMBL1939757)
Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1 |r,c:22|
Show InChI InChI=1S/C26H32N4O4S/c1-18-7-10-21(11-8-18)35(33,34)30-14-13-27-26(32)24(30)16-25(31)28-23-6-4-5-20-15-19(17-29(2)3)9-12-22(20)23/h7-15,23-24H,4-6,16-17H2,1-3H3,(H,27,32)(H,28,31)/t23-,24-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.25n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells membrane after 90 mins by scintillation counting


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50362364
PNG
(CHEMBL1939757)
Show SMILES CN(C)Cc1ccc2[C@@H](CCCc2c1)NC(=O)C[C@H]1N(C=CNC1=O)S(=O)(=O)c1ccc(C)cc1 |r,c:22|
Show InChI InChI=1S/C26H32N4O4S/c1-18-7-10-21(11-8-18)35(33,34)30-14-13-27-26(32)24(30)16-25(31)28-23-6-4-5-20-15-19(17-29(2)3)9-12-22(20)23/h7-15,23-24H,4-6,16-17H2,1-3H3,(H,27,32)(H,28,31)/t23-,24-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.210n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells assessed as inhibition of DAK-induced intracellular calcium le...


Bioorg Med Chem Lett 22: 1061-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.112
BindingDB Entry DOI: 10.7270/Q22J6CB2
More data for this
Ligand-Target Pair