BDBM287851 8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[7]annulen-7- ylcarbonyl)-6,11-dihydro- 5H-pyrido[2,3- b][1,5]benzodiazepine::US10086000, Example 68::US10508108, Example 68

SMILES O=C(C1CCc2ccccc2CC1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1

InChI Key InChIKey=ZGJIUUQQZUDAKL-UHFFFAOYSA-N

Data  6 IC50

  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 6 hits for monomerid = 287851   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50:  5nMpH: 7.0 T: 2°CAssay Description:Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50:  5nMAssay Description:Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50: >5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of IDH1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of PXR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed