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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50111790'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))		BDBM50111790
PNG
(CHEMBL3605378)
Show SMILES O=C1N(Cc2ccccc2)C(=S)N\C1=C\c1ccc(=O)[nH]c1
Show InChI InChI=1S/C22H38N4O8/c1-2-3-4-5-6-8-24-12-16(34-21-19(30)18(29)15(11-23)33-21)14-10-13(27)20(32-14)26-9-7-17(28)25-22(26)31/h7,9,13-16,18-21,24,27,29-30H,2-6,8,10-12,23H2,1H3,(H,25,28,31)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.80E+3n/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)


Article DOI: 10.1021/acs.jmedchem.5b00684
BindingDB Entry DOI: 10.7270/Q2M61N2D
More data for this
Ligand-Target Pair