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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'B1 bradykinin receptor' and Ligand = 'BDBM50355082'   
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))
BDBM50355082
PNG
(CHEMBL1835752)
Show SMILES O=C(CCCCC(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H36N2O2/c31-27(23-10-3-1-4-11-23)14-5-6-15-28(32)29-26-13-9-12-24-20-22(16-17-25(24)26)21-30-18-7-2-8-19-30/h1,3-4,10-11,16-17,20,26H,2,5-9,12-15,18-19,21H2,(H,29,32)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.68E+3n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM50355082
PNG
(CHEMBL1835752)
Show SMILES O=C(CCCCC(=O)c1ccccc1)N[C@@H]1CCCc2cc(CN3CCCCC3)ccc12 |r|
Show InChI InChI=1S/C28H36N2O2/c31-27(23-10-3-1-4-11-23)14-5-6-15-28(32)29-26-13-9-12-24-20-22(16-17-25(24)26)21-30-18-7-2-8-19-30/h1,3-4,10-11,16-17,20,26H,2,5-9,12-15,18-19,21H2,(H,29,32)/t26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human B1 receptor by cell-based assay


J Med Chem 54: 7232-46 (2011)


Article DOI: 10.1021/jm200808v
BindingDB Entry DOI: 10.7270/Q28C9WP1
More data for this
Ligand-Target Pair