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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50302272
PNG
(1-(2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl)-3-(2...)
Show SMILES Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
Show InChI InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Binding affinity to mouse urotensin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Mus musculus)
BDBM50431963
PNG
(CHEMBL2348502)
Show SMILES COc1cc(Br)c(cc1OC)S(=O)(=O)Cc1ccc(Cl)c(O[C@@H]2CCN(C)C2)c1
Show InChI InChI=1S/C20H23BrClNO5S/c1-23-7-6-14(11-23)28-17-8-13(4-5-16(17)22)12-29(24,25)20-10-19(27-3)18(26-2)9-15(20)21/h4-5,8-10,14H,6-7,11-12H2,1-3H3/t14-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mouse urotensin2 receptor assessed as inhibition of urotensin2-stimulated Ca2+ mobilization by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair
Urotensin-2 receptor


(Mus musculus)
BDBM50431962
PNG
(CHEMBL2348511)
Show SMILES COc1cc(Br)c(CNc2ccc(c(O[C@H]3CCN(C)C3)c2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C21H24BrF3N2O3/c1-27-7-6-15(12-27)30-18-9-14(4-5-16(18)21(23,24)25)26-11-13-8-19(28-2)20(29-3)10-17(13)22/h4-5,8-10,15,26H,6-7,11-12H2,1-3H3/t15-/m0/s1
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PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at mouse urotensin2 receptor assessed as inhibition of urotensin2-stimulated Ca2+ mobilization by cell-based assay


Citation and Details
More data for this
Ligand-Target Pair