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BDBM50508245 CHEMBL4446593

SMILES: Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCn3ccnc3)c3ccccc23)c2cccnc12

InChI Key: InChIKey=PXSMDYSKFFEFSC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508245   
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))		BDBM50508245
PNG
(CHEMBL4446593)
Show SMILES Cn1nc(C2=C(C(=O)NC2=O)c2cn(CCn3ccnc3)c3ccccc23)c2cccnc12 |t:4|
Show InChI InChI=1S/C24H19N7O2/c1-29-22-16(6-4-8-26-22)21(28-29)20-19(23(32)27-24(20)33)17-13-31(12-11-30-10-9-25-14-30)18-7-3-2-5-15(17)18/h2-10,13-14H,11-12H2,1H3,(H,27,32,33)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.42E+3n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...

Bioorg Med Chem 27: 589-603 (2019)


Article DOI: 10.1016/j.bmc.2018.12.029
More data for this
Ligand-Target Pair