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BDBM50508248 CHEMBL4457293

SMILES: Cc1cccc2c(cn(CCCn3ccnc3)c12)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12

InChI Key: InChIKey=YTNZMXHFJRDDHI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508248   
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))		BDBM50508248
PNG
(CHEMBL4457293)
Show SMILES Cc1cccc2c(cn(CCCn3ccnc3)c12)C1=C(C(=O)NC1=O)c1nn(C)c2ncccc12 |t:21|
Show InChI InChI=1S/C26H23N7O2/c1-16-6-3-7-17-19(14-33(23(16)17)12-5-11-32-13-10-27-15-32)20-21(26(35)29-25(20)34)22-18-8-4-9-28-24(18)31(2)30-22/h3-4,6-10,13-15H,5,11-12H2,1-2H3,(H,29,34,35)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/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