BDBM364371 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-1 H-indol-1-yl]benzoic 4-[3-(2,6-dichlorobenzoyl)-7-fluoro-1H-indol-1-yl]-3-fluoro-benzoic acid::US9861612, Comparator 4

SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2cccc(F)c12

InChI Key InChIKey=USQIKZSDKLRHFR-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 364371   

TargetNuclear receptor ROR-gamma(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
Affinity DataIC50: 4nMAssay 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
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
Affinity DataIC50: 11nMAssay 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
TargetNuclear receptor ROR-gamma(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
Affinity DataIC50: 59.6nMAssay 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
In Depth
Date in BDB:
12/3/2019
Entry Details
US Patent

TargetCytochrome P450 2C9(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
Affinity DataIC50: 6.40E+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 1A2(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
Affinity DataIC50: 2.50E+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
TargetCytochrome P450 3A4(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
Affinity DataIC50: 2.60E+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
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
Affinity DataIC50: 3.08E+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
TargetCytochrome P450 2C19(Human)
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
Affinity DataIC50: 3.20E+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
LigandPNGBDBM364371(US9861612, Comparator 4 | 4-[3-[2-chloro-6-(triflu...)
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
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed