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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 = 'BDBM50508376'   
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))
BDBM50508376
PNG
(CHEMBL4546405)
Show SMILES Clc1cc(CN2CCN(CC2)C(=O)c2ccc(o2)-c2ccc(cc2)C#N)ccc1OC1CCNCC1
Show InChI InChI=1S/C28H29ClN4O3/c29-24-17-21(3-6-26(24)35-23-9-11-31-12-10-23)19-32-13-15-33(16-14-32)28(34)27-8-7-25(36-27)22-4-1-20(18-30)2-5-22/h1-8,17,23,31H,9-16,19H2
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/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))
BDBM50508376
PNG
(CHEMBL4546405)
Show SMILES Clc1cc(CN2CCN(CC2)C(=O)c2ccc(o2)-c2ccc(cc2)C#N)ccc1OC1CCNCC1
Show InChI InChI=1S/C28H29ClN4O3/c29-24-17-21(3-6-26(24)35-23-9-11-31-12-10-23)19-32-13-15-33(16-14-32)28(34)27-8-7-25(36-27)22-4-1-20(18-30)2-5-22/h1-8,17,23,31H,9-16,19H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/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