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BDBM50114020 CHEMBL3605373

SMILES: COc1ccc(CN2C(=S)N\C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1

InChI Key: InChIKey=HPLMYNZDEHAZPW-MHWRWJLKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50114020   
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))		BDBM50114020
PNG
(CHEMBL3605373)
Show SMILES COc1ccc(CN2C(=S)N\C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1
Show InChI InChI=1S/C20H20N2O4S/c1-24-15-7-4-13(5-8-15)12-22-19(23)16(21-20(22)27)10-14-6-9-17(25-2)18(11-14)26-3/h4-11H,12H2,1-3H3,(H,21,27)/b16-10+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...

J Med Chem 58: 6899-908 (2015)


BindingDB Entry DOI: 10.7270/Q2M61N2D
More data for this
Ligand-Target Pair