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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50360419'   
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50360419
PNG
(CHEMBL1934253)
Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C32H34N4O2/c1-22-27-9-3-4-10-29(27)32(38)36(34-22)26-15-13-24(14-16-26)31(37)33-30-11-7-8-25-20-23(12-17-28(25)30)21-35-18-5-2-6-19-35/h3-4,9-10,12-17,20,30H,2,5-8,11,18-19,21H2,1H3,(H,33,37)/t30-/m0/s1
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43n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human B1 bradykinin receptor


Bioorg Med Chem Lett 22: 619-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50360419
PNG
(CHEMBL1934253)
Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C32H34N4O2/c1-22-27-9-3-4-10-29(27)32(38)36(34-22)26-15-13-24(14-16-26)31(37)33-30-11-7-8-25-20-23(12-17-28(25)30)21-35-18-5-2-6-19-35/h3-4,9-10,12-17,20,30H,2,5-8,11,18-19,21H2,1H3,(H,33,37)/t30-/m0/s1
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 bradykinin receptor expressed in CHO cells by aqueorin-based calcium flux assay


Bioorg Med Chem Lett 22: 619-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Oryctolagus cuniculus)
BDBM50360419
PNG
(CHEMBL1934253)
Show SMILES Cc1nn(-c2ccc(cc2)C(=O)N[C@H]2CCCc3cc(CN4CCCCC4)ccc23)c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C32H34N4O2/c1-22-27-9-3-4-10-29(27)32(38)36(34-22)26-15-13-24(14-16-26)31(37)33-30-11-7-8-25-20-23(12-17-28(25)30)21-35-18-5-2-6-19-35/h3-4,9-10,12-17,20,30H,2,5-8,11,18-19,21H2,1H3,(H,33,37)/t30-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit B1 bradykinin receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 619-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.068
BindingDB Entry DOI: 10.7270/Q25X29CW
More data for this
Ligand-Target Pair