BDBM50512490 CHEMBL4454027

SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12

InChI Key InChIKey=MYHNQIQWDRXLHS-UHFFFAOYSA-N

Data  1 KI  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50512490   

TargetCytochrome P450 1A2(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 2.99E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition measured after 10 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Mouse)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 58nMAssay Description:Inverse agonist activity at RORgammat in mouse splenocytes derived naive T cells assessed as suppression of T cell differentiation to Th17 cells by m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 1.55E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition measured after 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 1.60nMAssay Description:Inverse agonist activity at GST-tagged RORgammat LBD (unknown origin) using fluorescein-D22 co-activator peptide as substrate incubated for 1 hr by T...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 28nMAssay Description:Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition measured after 10 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 6.76E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetNuclear receptor ROR-gamma(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50512490(CHEMBL4454027)
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed