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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 = 'BDBM50244435'   
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))
BDBM50244435
PNG
((S)-3-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES O[C@@H](CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)CS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C30H36N2O4S/c33-26(21-37(35,36)27-13-12-23-7-2-3-8-24(23)18-27)19-30(34)31-29-10-6-9-25-17-22(11-14-28(25)29)20-32-15-4-1-5-16-32/h2-3,7-8,11-14,17-18,26,29,33H,1,4-6,9-10,15-16,19-21H2,(H,31,34)/t26-,29+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
41.4n/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 clone CHO-D-/aequorin cells


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair
Bradykinin B1 receptor


(Homo sapiens (Human))
BDBM50244435
PNG
((S)-3-hydroxy-4-(naphthalen-2-ylsulfonyl)-N-((R)-6...)
Show SMILES O[C@@H](CC(=O)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12)CS(=O)(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C30H36N2O4S/c33-26(21-37(35,36)27-13-12-23-7-2-3-8-24(23)18-27)19-30(34)31-29-10-6-9-25-17-22(11-14-28(25)29)20-32-15-4-1-5-16-32/h2-3,7-8,11-14,17-18,26,29,33H,1,4-6,9-10,15-16,19-21H2,(H,31,34)/t26-,29+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 48.9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human bradykinin B1 receptor expressed in clone CHO-D-/aequorin cells by aquerin based assay


Bioorg Med Chem Lett 18: 4764-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.108
BindingDB Entry DOI: 10.7270/Q29C6X87
More data for this
Ligand-Target Pair