BDBM377682 4-{[(6-chloro-7-{[(2S)-1-methylpyrrolidin-2-::US10266495, Compound I-94

SMILES COc1cc(NCc2cc3cc(Cl)c(OC[C@@H]4CCCN4C)cc3[nH]c2=O)ccc1C#N

InChI Key InChIKey=AUSQEMWCDVUKEF-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 377682   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Human)
Sunshine Lake Pharma

US Patent
LigandPNGBDBM377682(US10266495, Compound I-94 | 4-{[(6-chloro-7-{[(2S)...)
Affinity DataIC50: 55nMAssay Description:Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2020
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377682(US10266495, Compound I-94 | 4-{[(6-chloro-7-{[(2S)...)
Affinity DataIC50: 56nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Human)
Sunshine Lake Pharma

US Patent
LigandPNGBDBM377682(US10266495, Compound I-94 | 4-{[(6-chloro-7-{[(2S)...)
Affinity DataIC50: 1.00E+3nMAssay Description:Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2020
Entry Details
US Patent

TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Human)
Forma Therapeutics

Curated by ChEMBL
LigandPNGBDBM377682(US10266495, Compound I-94 | 4-{[(6-chloro-7-{[(2S)...)
Affinity DataIC50: 5.87E+3nMAssay Description:Inhibition of human Myc-DDK-tagged IDH1 R132C mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed