BDBM50572221 CHEMBL4862974

SMILES OC(=O)c1cc(c2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1)C(F)(F)F

InChI Key InChIKey=WPGAVSDZYIRUGE-UHFFFAOYSA-N

Data  5 IC50  19 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50572221   

TargetBile acid receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  53nMAssay Description:Agonist activity at Gal4-fused human FXR expressed in HEK293 cells incubated for overnight by Steady-Glo luciferase reporter gene based luminescence ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRNA-binding protein FXR2(Homo sapiens)
Biocon-Bristol Myers Squibb Research And Development Center

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  243nMAssay Description:Agonist activity at human FXR2 expressed in Huh-7 cells coexpressing BSEPMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin) expressed in baculovirus infected insect supersomes preincubated for 15 mins followed by addition of NADPH rege...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataIC50: >4.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) expressed in baculovirus infected insect supersomes preincubated for 15 mins followed by addition of NADPH rege...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataIC50: >4.00E+4nMAssay Description:Antagonist activity at human RORgammaT co-expressed with Gal4-luciferase reporter in human Jurkat cells incubated for 18 hrs by Steady-Glo luciferase...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataIC50: >4.00E+4nMAssay Description:Antagonist activity at human RORalpha (272 to 557 residues) co-expressed with Gal4-luciferase reporter in human Jurkat cells incubated for 18 hrs by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of PPARalpha LBD (unknown origin) co-expressed with Gal4UAS-luciferase reporter in HEK293 cells incubated for 24 hrs by Steady-Glo lucifer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of PPARgamma LBD (unknown origin) co-expressed with Gal4UAS-luciferase reporter in HEK293 cells incubated for 24 hrs by Steady-Glo lucifer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of PPARdelta LBD (unknown origin) co-expressed with Gal4UAS-luciferase reporter in HEK293 cells incubated for 24 hrs by Steady-Glo lucifer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of human LXRalpha co-expressed with TK-luciferase reporter in African green monkey CV-1 cells incubated for overnight by Steady-Glo lucife...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxysterols receptor LXR-beta(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of human LXRbeta co-expressed with TK-luciferase reporter in African green monkey CV-1 cells incubated for overnight by Steady-Glo lucifer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of androgen receptor (unknown origin) by fluorescence polarization based competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of estrogen receptor alpha (unknown origin) by fluorescence polarization based competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of glucocorticoid receptor (unknown origin) by fluorescence polarization based competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProgesterone receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Activation of progesterone receptor (unknown origin) by fluorescence polarization based competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50: >4.00E+4nMAssay Description:Agonist activity at human RORalpha (272 to 557 residues) co-expressed with Gal4-luciferase reporter in human Jurkat cells incubated for 18 hrs by Ste...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataIC50: >4.00E+4nMAssay Description:Displacement of [3H]25-hydroxycholesterol from human N-terminal His-tagged RORgammaT LBD (262 to 508 residues) expressed in Escherichia coli preincub...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile acid receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  53nMAssay Description:Agonist activity at Gal4-fused human FXR in HEK293 cells incubated for 15 min by luciferase reporter assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBile acid receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  351nMAssay Description:Agonist activity at LBD fused human FXR in HEK293 cells incubated for 30 min by envision plate reader methodMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBile acid receptor(Mus musculus)
Biocon-Bristol Myers Squibb Research And Development Center

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  320nMAssay Description:Agonist activity at mouse LBD fused FXR in HEK293 cells incubated for 30 min by envision plate reader methodMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetRNA-binding protein FXR2(Homo sapiens)
Biocon-Bristol Myers Squibb Research And Development Center

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  281nMAssay Description:Agonist activity at human FXR2 expressed in Huh-7 cells coexpressing BSEP relative to GW2064More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetRNA-binding protein FXR2(Homo sapiens)
Biocon-Bristol Myers Squibb Research And Development Center

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  150nMAssay Description:Agonist activity at human FXR2 expressed in HEK293 cells coexpressing human FGF19 incubated for 24 hrs by ELISA analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetRNA-binding protein FXR2(Homo sapiens)
Biocon-Bristol Myers Squibb Research And Development Center

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  84nMAssay Description:Agonist activity at human FXR2 expressed in HEK293 cells coexpressing IBABPMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetBile acid receptor(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50572221(CHEMBL4862974)
Affinity DataEC50:  350nMAssay Description:Agonist activity at His-tagged human FXR LBD assessed as induction of coactivator SRC-1 peptide recruitment measured after 30 mins by plate reader an...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed