BDBM600742 US11629156, Example 4

SMILES C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@H](CC1CC1)N1CCN(CC1)C(=O)C=C

InChI Key InChIKey=BHYQNYPMHHWOHO-MBSDFSHPSA-N

Data  6 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 6 hits for monomerid = 600742   

TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132H](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM600742(US11629156, Example 4)
Affinity DataIC50:  13.7nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic [R132C](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM600742(US11629156, Example 4)
Affinity DataIC50:  8.69nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM600742(US11629156, Example 4)
Affinity DataIC50:  3.70E+3nMAssay Description:IDH1 and IDH2 enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: NP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R172K](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM600742(US11629156, Example 4)
Affinity DataIC50:  28nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM600742(US11629156, Example 4)
Affinity DataIC50:  302nMAssay Description:IDH1 and IDH2 enzymes catalyze the conversion of isocitrate to αKG. Wild-type IDH1 (National Center for Biotechnology Information, Accession: NP...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetIsocitrate dehydrogenase [NADP], mitochondrial [R140Q](Homo sapiens (Human))
Eli Lilly

US Patent
LigandPNGBDBM600742(US11629156, Example 4)
Affinity DataIC50:  81.1nMAssay Description:IDH1-R132H, IDH1-R132C, IDH2-R172K and IDH2-R140Q mutant enzymes catalyze the conversion of αKG to 2HG. 2HG is analyzed using in-line solid phas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent