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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 = 'BDBM50508360'   
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))		BDBM50508360
PNG
(CHEMBL4437224)
Show SMILES COc1cccc(c1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H32ClN3O4/c1-34-23-4-2-3-21(18-23)25-7-8-27(36-25)28(33)32-15-13-31(14-16-32)19-20-5-6-26(24(29)17-20)35-22-9-11-30-12-10-22/h2-8,17-18,22,30H,9-16,19H2,1H3
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/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))		BDBM50508360
PNG
(CHEMBL4437224)
Show SMILES COc1cccc(c1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H32ClN3O4/c1-34-23-4-2-3-21(18-23)25-7-8-27(36-25)28(33)32-15-13-31(14-16-32)19-20-5-6-26(24(29)17-20)35-22-9-11-30-12-10-22/h2-8,17-18,22,30H,9-16,19H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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