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SMILES: COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3nn(C)c4ncccc34)c2c1

InChI Key: InChIKey=OHXRWTJVZNRZAW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50508270   
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))		BDBM50508270
PNG
(CHEMBL4466687)
Show SMILES COc1ccc2n(CCCn3ccnc3)cc(C3=C(C(=O)NC3=O)c3nn(C)c4ncccc34)c2c1 |t:18|
Show InChI InChI=1S/C26H23N7O3/c1-31-24-17(5-3-8-28-24)23(30-31)22-21(25(34)29-26(22)35)19-14-33(11-4-10-32-12-9-27-15-32)20-7-6-16(36-2)13-18(19)20/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.36E+4n/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