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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 = 'BDBM50508352'   
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))		BDBM50508352
PNG
(CHEMBL4461733)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H29ClF3N3O3/c29-23-17-19(5-6-25(23)37-20-9-11-33-12-10-20)18-34-13-15-35(16-14-34)27(36)26-8-7-24(38-26)21-3-1-2-4-22(21)28(30,31)32/h1-8,17,20,33H,9-16,18H2
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UniChem
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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))		BDBM50508352
PNG
(CHEMBL4461733)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
Show InChI InChI=1S/C28H29ClF3N3O3/c29-23-17-19(5-6-25(23)37-20-9-11-33-12-10-20)18-34-13-15-35(16-14-34)27(36)26-8-7-24(38-26)21-3-1-2-4-22(21)28(30,31)32/h1-8,17,20,33H,9-16,18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/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