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SMILES: [H][C@]12CN(c3ccc4Nc5ncncc5CN(C(=O)[C@H]5CC[C@@H](CC5)OC(C)C)c4c3)[C@]([H])(CO1)C2

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50586270   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))		BDBM50586270
PNG
(CHEMBL5084182)
Show SMILES [H][C@]12CN(c3ccc4Nc5ncncc5CN(C(=O)[C@H]5CC[C@@H](CC5)OC(C)C)c4c3)[C@]([H])(CO1)C2 |r,wU:19.19,1.0,31.35,wD:22.26,(-5.47,2.53,;-5.86,1.04,;-4.53,.27,;-4.53,-1.27,;-3.2,-2.04,;-3.2,-3.58,;-1.86,-4.34,;-.53,-3.58,;.67,-4.53,;2.17,-4.18,;3.02,-5.45,;4.54,-5.34,;5.21,-3.97,;4.36,-2.7,;2.84,-2.81,;2.17,-1.43,;.66,-1.09,;.27,.4,;-1.22,.8,;1.35,1.49,;.96,2.98,;2.04,4.07,;3.53,3.67,;3.93,2.18,;2.84,1.09,;4.62,4.76,;6.11,4.36,;7.2,5.45,;6.51,2.87,;-.53,-2.04,;-1.86,-1.27,;-5.86,-2.04,;-5.86,-3.58,;-7.2,-1.27,;-7.2,.27,;-6.26,-.55,)|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 197n/an/an/an/an/an/a


TBA

Assay 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...

Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00089
BindingDB Entry DOI: 10.7270/Q2RJ4PCP
More data for this
Ligand-Target Pair