null

SMILES: CC(C)CCOc1nc(Nc2csc(n2)C(O)=O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50550477   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50550477 (CHEMBL4796479) Show SMILES CC(C)CCOc1nc(Nc2csc(n2)C(O)=O)ccc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 |TLB:34:31:24.25.26:28,23:24:28:30.31.33,THB:34:25:28:30.31.33,33:31:24:26.27.28,33:27:24:30.34.31,32:31:24:26.27.28,32:31:24.25.26:28,(21.29,-15.61,;19.95,-14.86,;18.62,-15.65,;19.93,-13.31,;18.58,-12.56,;18.56,-11.02,;17.21,-10.26,;15.89,-11.05,;14.54,-10.3,;13.21,-11.09,;11.86,-10.33,;11.68,-8.8,;10.17,-8.5,;9.41,-9.84,;10.46,-10.98,;7.88,-10.03,;6.95,-8.79,;7.26,-11.44,;14.52,-8.75,;15.84,-7.96,;17.2,-8.72,;18.52,-7.93,;18.49,-6.38,;19.87,-8.68,;21.11,-7.93,;22.53,-7.53,;22.53,-6.03,;23.51,-4.87,;22.24,-5.32,;22.24,-6.72,;23.5,-7.18,;24.82,-6.86,;26.27,-6.8,;24.83,-5.41,;23.86,-8.06,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of IDH1 R132H mutant (unknown origin) using alpha-ketoglutarate and NADPH incubated for 30 mins by fluorescence based assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2G73JBM
					More data for this Ligand-Target Pair