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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50508369'   
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-2 receptor


(Homo sapiens (Human))
BDBM50508369
PNG
(CHEMBL4578409)
Show SMILES Clc1cc(CN2CCN(CC2)C(=O)c2ccc(o2)-c2ccccc2Cl)ccc1OC1CCNCC1
Show InChI InChI=1S/C27H29Cl2N3O3/c28-22-4-2-1-3-21(22)24-7-8-26(35-24)27(33)32-15-13-31(14-16-32)18-19-5-6-25(23(29)17-19)34-20-9-11-30-12-10-20/h1-8,17,20,30H,9-16,18H2
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of Eu-labelled UT2 from recombinant human UT2 receptor expressed in HEK293 cell membranes preincubated for 10 mins followed by Eu-labell...


Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Homo sapiens (Human))
BDBM50508369
PNG
(CHEMBL4578409)
Show SMILES Clc1cc(CN2CCN(CC2)C(=O)c2ccc(o2)-c2ccccc2Cl)ccc1OC1CCNCC1
Show InChI InChI=1S/C27H29Cl2N3O3/c28-22-4-2-1-3-21(22)24-7-8-26(35-24)27(33)32-15-13-31(14-16-32)18-19-5-6-25(23(29)17-19)34-20-9-11-30-12-10-20/h1-8,17,20,30H,9-16,18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human UT2 receptor expressed in HEK293-aeq cells assessed as inhibition of U2-induced intracellular calcium mobilization prein...


Bioorg Med Chem Lett 29: 577-580 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.058
BindingDB Entry DOI: 10.7270/Q2445QS4
More data for this
Ligand-Target Pair