BDBM50429537 CHEMBL2333770

SMILES CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key InChIKey=AHFLGPTXSIRAQK-UHFFFAOYSA-N

Data  10 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50429537   

TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi:  6nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi:  6nMAssay Description:Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicansMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi:  6nMAssay Description:Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysisMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi:  6nMAssay Description:Inhibition of human P2Y1 assessed as inhibition constantMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi:  6nMAssay Description:Binding affinity to human P2Y1 receptorMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 14(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi:  3.50E+3nMAssay Description:Inhibition of human P2Y14 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 2(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 6(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y6 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 11(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human P2Y11 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 12(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataKi: >7.00E+4nMAssay Description:Displacement of [beta-33P]-2MeS-ADP from human P2Y12 receptor transfected in HEK293 cells assessed as [beta-33P] bound to cells after 1 hr by scintil...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataIC50:  2.10E+3nMAssay Description:Inhibition of human P2Y1More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataIC50:  350nMAssay Description:Antagonist activity at human P2Y1R expressed in HEK293 cells assessed as inhibition of ADP-induced IP3 production preincubated for 0.5 hrs followed b...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataIC50:  280nMAssay Description:Antagonist activity at P2Y1 (unknown origin) expressed in human 1321N1 cells assessed as induction of calcium stimulation by fluo-4 dye based assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataIC50:  29nMAssay Description:Antagonist activity at P2Y1 receptor in washed human platelets assessed as 1 uM 2-methylthio-ADP-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bristol-Myers Squibb Research And Development

Curated by ChEMBL
LigandPNGBDBM50429537(CHEMBL2333770)
Affinity DataIC50:  2.10E+3nMAssay Description:Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 2.5 uM ADP-induced platelet aggregation preincubated for 1 min fol...More data for this Ligand-Target Pair