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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 = 'BDBM50419894'   
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))
BDBM50419894
PNG
(CHEMBL1956871)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(C[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C33H43Cl2N4O5S/c1-22-19-23(2)36-31-25(22)7-6-8-28(31)44-21-26-27(34)9-10-29(30(26)35)45(41,42)37-33(13-17-43-18-14-33)32(40)38-15-11-24(12-16-38)20-39(3,4)5/h6-10,19,24,37H,11-18,20-21H2,1-5H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.398n/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))
BDBM50419894
PNG
(CHEMBL1956871)
Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(C[N+](C)(C)C)CC3)c2n1
Show InChI InChI=1S/C33H43Cl2N4O5S/c1-22-19-23(2)36-31-25(22)7-6-8-28(31)44-21-26-27(34)9-10-29(30(26)35)45(41,42)37-33(13-17-43-18-14-33)32(40)38-15-11-24(12-16-38)20-39(3,4)5/h6-10,19,24,37H,11-18,20-21H2,1-5H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.01n/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