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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 = 'BDBM50272415'   
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))
BDBM50272415
PNG
(2-(1-(mesitylsulfonyl)-3-oxo-1,2,3,4-tetrahydronox...)
Show SMILES COc1ccccc1NC(=O)CC1N(c2ccccc2NC1=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H27N3O5S/c1-16-13-17(2)25(18(3)14-16)35(32,33)29-21-11-7-5-9-19(21)28-26(31)22(29)15-24(30)27-20-10-6-8-12-23(20)34-4/h5-14,22H,15H2,1-4H3,(H,27,30)(H,28,31)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
500n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHO-D-/aequorin cells by rapid filtration technique


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50272415
PNG
(2-(1-(mesitylsulfonyl)-3-oxo-1,2,3,4-tetrahydronox...)
Show SMILES COc1ccccc1NC(=O)CC1N(c2ccccc2NC1=O)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C26H27N3O5S/c1-16-13-17(2)25(18(3)14-16)35(32,33)29-21-11-7-5-9-19(21)28-26(31)22(29)15-24(30)27-20-10-6-8-12-23(20)34-4/h5-14,22H,15H2,1-4H3,(H,27,30)(H,28,31)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>4.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4477-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.055
BindingDB Entry DOI: 10.7270/Q2F76CCT
More data for this
Ligand-Target Pair