BDBM287820 8-morpholin-4-yl-6- [(4aR,6S,8aS)-octahydro- 2H-chromen-6- ylcarbonyl]-6,11-dihydro- 5H-pyrido[2,3-b] [1,5]benzodiazepine::US10086000, Example 38::US10086000, Example 45::US10508108, Example 45

SMILES O=C([C@H]1CC[C@@H]2OCCC[C@@H]2C1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1

InChI Key InChIKey=UTMOKHXHNIIZLQ-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 287820   

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

US Patent
LigandPNGBDBM287820(US10086000, Example 38 | 8-morpholin-4-yl-6- [(4aR...)
Affinity DataIC50: 393nMpH: 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
In Depth
Date in BDB:
1/17/2019
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM287820(US10086000, Example 38 | 8-morpholin-4-yl-6- [(4aR...)
Affinity DataIC50: 123nMpH: 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
In Depth
Date in BDB:
1/17/2019
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM287820(US10086000, Example 38 | 8-morpholin-4-yl-6- [(4aR...)
Affinity DataIC50: 393nMAssay 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
In Depth
Date in BDB:
10/12/2020
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM287820(US10086000, Example 38 | 8-morpholin-4-yl-6- [(4aR...)
Affinity DataIC50: 123nMAssay 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
In Depth
Date in BDB:
10/12/2020
Entry Details
Go to US Patent