BDBM1542 2-({2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}carbamoyl)cyclopent-1-ene-1-carboxylic acid::5,11-dihydro-11-ethyl-5-methyl-2-morpholino-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::CHEMBL154493::Compound 3::Dipyridodiazepinone deriv. 31

SMILES OC(=O)C1=C(CCC1)C(=O)Nc1ccc(cc1F)-c1cccc(OC(F)(F)F)c1

InChI Key InChIKey=CTKBCQCRHRCICI-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 1542   

TargetGag-Pol polyprotein [600-1027,R876K]/[600-1155](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM1542(2-({2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}...)
Affinity DataIC50:  400nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
4Sc

Curated by ChEMBL
LigandPNGBDBM1542(2-({2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}...)
Affinity DataIC50:  280nMAssay Description:In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)More data for this Ligand-Target Pair
TargetDihydroorotate dehydrogenase (quinone), mitochondrial(Homo sapiens (Human))
4Sc

Curated by ChEMBL
LigandPNGBDBM1542(2-({2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}...)
Affinity DataIC50:  280nMpH: 8.0 T: 2°CAssay Description:The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C](Human immunodeficiency virus type 1)
Boehringer Ingelheim Pharmaceuticals

LigandPNGBDBM1542(2-({2-fluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}...)
Affinity DataIC50: >1.00E+3nMAssay Description:The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed