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BDBM50321583 1-(4-(trifluoromethoxy)phenyl)-3-(2-(2-(trifluoromethyl)phenyl)benzofuran-7-yl)urea::CHEMBL1172138

SMILES: FC(F)(F)Oc1ccc(NC(=O)Nc2cccc3cc(oc23)-c2ccccc2C(F)(F)F)cc1

InChI Key: InChIKey=PAUCPJHDYWRVOI-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50321583   
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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50321583
PNG
(1-(4-(trifluoromethoxy)phenyl)-3-(2-(2-(trifluorom...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccc3cc(oc23)-c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C23H14F6N2O3/c24-22(25,26)17-6-2-1-5-16(17)19-12-13-4-3-7-18(20(13)33-19)31-21(32)30-14-8-10-15(11-9-14)34-23(27,28)29/h1-12H,(H2,30,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [33P]2-MeS-ADP from human P2Y1 receptor expressed in human U2OS cells by scintillation counting


Bioorg Med Chem Lett 20: 4104-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.072
BindingDB Entry DOI: 10.7270/Q2HX1DNF
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50321583
PNG
(1-(4-(trifluoromethoxy)phenyl)-3-(2-(2-(trifluorom...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccc3cc(oc23)-c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C23H14F6N2O3/c24-22(25,26)17-6-2-1-5-16(17)19-12-13-4-3-7-18(20(13)33-19)31-21(32)30-14-8-10-15(11-9-14)34-23(27,28)29/h1-12H,(H2,30,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 expressed in HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 20: 4104-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.072
BindingDB Entry DOI: 10.7270/Q2HX1DNF
More data for this
Ligand-Target Pair