BDBM364370 4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]benzoic acid::US9861612, Comparator 3

SMILES OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12

InChI Key InChIKey=IUHZJIRXCFINGV-UHFFFAOYSA-N

Data  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 364370   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Orca Pharmaceuticals

US Patent
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50:  91.6nMAssay Description:The assay was run in black 384 well plates (Greiner cat no: 784900). Various concentrations of test ligands in 0.1 microlitres DMSO were dispensed to...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2C9(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50: >1.70E+4nMAssay Description:Time-dependent inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH measured after 30 mins by LC-MS/MS a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-alpha(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of GAL4-DBD fused RORalpha LBD (unknown origin) expressed in HEK293T cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50: >5.00E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50: >5.00E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Orca Pharmaceuticals

US Patent
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50:  1nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50:  4.47E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Mus musculus)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50:  500nMAssay Description:Transrepression of RORgammat in Balb/c mouse splenocytes assessed as reduction in anti-CD3/anti-CD28 stimulated IL-17 level measured after 48 hrs in ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Mus musculus)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50:  26nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50:  4.60E+4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50:  1.11E+4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50: >5.00E+4nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Orca Pharmaceuticals

US Patent
LigandPNGBDBM364370(4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]...)
Affinity DataIC50:  12nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed