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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 = 'BDBM375171'   
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))		BDBM375171
PNG
(6-{[1-(6-chloro-2-oxo-1,2- | US10253015, Compound ...)
Show SMILES Cc1nc(NC2(CC2)c2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N
Show InChI InChI=1S/C19H15ClN4O/c1-11-12(10-21)2-5-17(22-11)24-19(6-7-19)15-9-13-8-14(20)3-4-16(13)23-18(15)25/h2-5,8-9H,6-7H2,1H3,(H,22,24)(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Forma Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Myc-DDK-tagged IDH1 R132H mutant assessed as reduction in NADPH consumption pre-incubated for 15 mins followed by alpha-ketogluta...

J Med Chem 62: 6575-6596 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00362
BindingDB Entry DOI: 10.7270/Q2VD72TR
More data for this
Ligand-Target Pair