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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Urotensin II receptor' and Ligand = 'BDBM50413017'   
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413017
PNG
(CHEMBL500880)
Show SMILES C(Nc1nccc2[nH]c3ccccc3c12)c1ccccc1
Show InChI InChI=1S/C18H15N3/c1-2-6-13(7-3-1)12-20-18-17-14-8-4-5-9-15(14)21-16(17)10-11-19-18/h1-11,21H,12H2,(H,19,20)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Felis catus)
BDBM50413017
PNG
(CHEMBL500880)
Show SMILES C(Nc1nccc2[nH]c3ccccc3c12)c1ccccc1
Show InChI InChI=1S/C18H15N3/c1-2-6-13(7-3-1)12-20-18-17-14-8-4-5-9-15(14)21-16(17)10-11-19-18/h1-11,21H,12H2,(H,19,20)
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]human urotensin 2 from cat urotensin 2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50413017
PNG
(CHEMBL500880)
Show SMILES C(Nc1nccc2[nH]c3ccccc3c12)c1ccccc1
Show InChI InChI=1S/C18H15N3/c1-2-6-13(7-3-1)12-20-18-17-14-8-4-5-9-15(14)21-16(17)10-11-19-18/h1-11,21H,12H2,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 19.9n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human urotensin 2 receptor by FLIPR assay


Bioorg Med Chem Lett 18: 4936-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.054
BindingDB Entry DOI: 10.7270/Q2GH9K5T
More data for this
Ligand-Target Pair