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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bradykinin B1 receptor' and Ligand = 'BDBM50360414'   
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))
BDBM50360414
PNG
(CHEMBL1934262)
Show SMILES Clc1ccc2c(c1)occ(-c1ccc(cc1)C(=O)N[C@H]1CCCc3cc(CN4CCCCC4)ccc13)c2=O |r|
Show InChI InChI=1S/C32H31ClN2O3/c33-25-12-14-27-30(18-25)38-20-28(31(27)36)22-8-10-23(11-9-22)32(37)34-29-6-4-5-24-17-21(7-13-26(24)29)19-35-15-2-1-3-16-35/h7-14,17-18,20,29H,1-6,15-16,19H2,(H,34,37)/t29-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
42n/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
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50360414
PNG
(CHEMBL1934262)
Show SMILES Clc1ccc2c(c1)occ(-c1ccc(cc1)C(=O)N[C@H]1CCCc3cc(CN4CCCCC4)ccc13)c2=O |r|
Show InChI InChI=1S/C32H31ClN2O3/c33-25-12-14-27-30(18-25)38-20-28(31(27)36)22-8-10-23(11-9-22)32(37)34-29-6-4-5-24-17-21(7-13-26(24)29)19-35-15-2-1-3-16-35/h7-14,17-18,20,29H,1-6,15-16,19H2,(H,34,37)/t29-/m0/s1
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 264n/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
Bradykinin B1 receptor


(Oryctolagus cuniculus)
BDBM50360414
PNG
(CHEMBL1934262)
Show SMILES Clc1ccc2c(c1)occ(-c1ccc(cc1)C(=O)N[C@H]1CCCc3cc(CN4CCCCC4)ccc13)c2=O |r|
Show InChI InChI=1S/C32H31ClN2O3/c33-25-12-14-27-30(18-25)38-20-28(31(27)36)22-8-10-23(11-9-22)32(37)34-29-6-4-5-24-17-21(7-13-26(24)29)19-35-15-2-1-3-16-35/h7-14,17-18,20,29H,1-6,15-16,19H2,(H,34,37)/t29-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>800n/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