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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 = 'BDBM50254461'   
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))
BDBM50254461
PNG
(CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
149n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]desArg from human B1 in human WI 38 cells


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50254461
PNG
(CHEMBL507546 | N-(2-chlorobenzyl)-2-(N-(4-isobutox...)
Show SMILES COc1cc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCOCC3)cc2)ccc1OCC(C)C
Show InChI InChI=1S/C32H40ClN3O6S/c1-24(2)23-42-30-13-10-26(18-31(30)40-3)21-36(22-32(37)34-19-27-6-4-5-7-29(27)33)43(38,39)28-11-8-25(9-12-28)20-35-14-16-41-17-15-35/h4-13,18,24H,14-17,19-23H2,1-3H3,(H,34,37)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
463n/an/an/an/an/an/an/an/a



Pharmacopeia Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned B1 receptor expressed in african green monkey COS7 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 119-22 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.005
BindingDB Entry DOI: 10.7270/Q2KH0N6M
More data for this
Ligand-Target Pair