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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B2 bradykinin receptor' and Ligand = 'BDBM50419895'   
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
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50419895
PNG
(CHEMBL1956873)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C35H47Cl2N4O5S/c1-24-22-25(2)38-33-27(24)9-6-10-30(33)46-23-28-29(36)11-12-31(32(28)37)47(43,44)39-35(15-20-45-21-16-35)34(42)40-17-13-26(14-18-40)8-7-19-41(3,4)5/h6,9-12,22,26,39H,7-8,13-21,23H2,1-5H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.501n/an/an/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(Homo sapiens (Human))
BDBM50419895
PNG
(CHEMBL1956873)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CCC[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C35H47Cl2N4O5S/c1-24-22-25(2)38-33-27(24)9-6-10-30(33)46-23-28-29(36)11-12-31(32(28)37)47(43,44)39-35(15-20-45-21-16-35)34(42)40-17-13-26(14-18-40)8-7-19-41(3,4)5/h6,9-12,22,26,39H,7-8,13-21,23H2,1-5H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.58n/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B2 receptor expressed in dhfr-deficient CHO cells assessed as inhibition of bradykinin-induced inositol monop...


Bioorg Med Chem 20: 2091-100 (2012)


Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX
More data for this
Ligand-Target Pair