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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 = 'BDBM50508368'   
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))
BDBM50508368
PNG
(CHEMBL4538387)
Show SMILES Fc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C27H29ClFN3O3/c28-23-17-19(1-6-25(23)34-22-9-11-30-12-10-22)18-31-13-15-32(16-14-31)27(33)26-8-7-24(35-26)20-2-4-21(29)5-3-20/h1-8,17,22,30H,9-16,18H2
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/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))
BDBM50508368
PNG
(CHEMBL4538387)
Show SMILES Fc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C27H29ClFN3O3/c28-23-17-19(1-6-25(23)34-22-9-11-30-12-10-22)18-31-13-15-32(16-14-31)27(33)26-8-7-24(35-26)20-2-4-21(29)5-3-20/h1-8,17,22,30H,9-16,18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/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