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BDBM50431983 CHEMBL2348520

SMILES: COc1cc(OC)c(OC)cc1CNc1ccc(c(O[C@H]2CCN(C)C2)c1)C(F)(F)F

InChI Key: InChIKey=DTWIWPLNCJRJGN-INIZCTEOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50431983   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Urotensin II receptor


(Homo sapiens (Human))
BDBM50431983
PNG
(CHEMBL2348520)
Show SMILES COc1cc(OC)c(OC)cc1CNc1ccc(c(O[C@H]2CCN(C)C2)c1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O4/c1-27-8-7-16(13-27)31-19-10-15(5-6-17(19)22(23,24)25)26-12-14-9-20(29-3)21(30-4)11-18(14)28-2/h5-6,9-11,16,26H,7-8,12-13H2,1-4H3/t16-/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed in human Chem-2 cells after 4 hrs by scintillation proximity assay


Bioorg Med Chem Lett 23: 2177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50431983
PNG
(CHEMBL2348520)
Show SMILES COc1cc(OC)c(OC)cc1CNc1ccc(c(O[C@H]2CCN(C)C2)c1)C(F)(F)F
Show InChI InChI=1S/C22H27F3N2O4/c1-27-8-7-16(13-27)31-19-10-15(5-6-17(19)22(23,24)25)26-12-14-9-20(29-3)21(30-4)11-18(14)28-2/h5-6,9-11,16,26H,7-8,12-13H2,1-4H3/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human urotensin2 receptor expressed in CHO cells assessed as inhibition of urotensin2-stimulated Ca2+ mobilization...


Bioorg Med Chem Lett 23: 2177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.105
BindingDB Entry DOI: 10.7270/Q2XS5WSW
More data for this
Ligand-Target Pair