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SMILES: [H][C@@]12CCc3c[nH]nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1ccccc1

InChI Key: InChIKey=WWRYSJLVOMDRAJ-XGINMYPSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50506588   
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))		BDBM50506588
PNG
(CHEMBL4467995)
Show SMILES [H][C@@]12CCc3c[nH]nc3[C@]1(C=C(C#N)C(=O)[C@H]2C)c1ccccc1 |r,t:12|
Show InChI InChI=1S/C19H17N3O/c1-12-16-8-7-13-11-21-22-18(13)19(16,9-14(10-20)17(12)23)15-5-3-2-4-6-15/h2-6,9,11-12,16H,7-8H2,1H3,(H,21,22)/t12-,16-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 8-His tagged wild type human IDH1 (1 to 414 residues) expressed in Escherichia coli BL21(DE3)-T1R preincubated for 15 mins u...

J Med Chem 61: 6647-6657 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00305
More data for this
Ligand-Target Pair