BDBM247494 US9434719, 28

SMILES: CC(O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)C2CCN(CC2)c2ccc(Cl)c(OC(F)(F)F)c2)ncc1F

InChI Key: InChIKey=UWJKLSDVLIZTFE-TWZXDDCKSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 247494   

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))	BDBM247494 (US9434719, 28) Show SMILES CC(O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)C2CCN(CC2)c2ccc(Cl)c(OC(F)(F)F)c2)ncc1F |r| Show InChI InChI=1S/C23H26ClF4N5O4/c1-12(30-21-29-10-17(25)20(31-21)33-18(13(2)34)11-36-22(33)35)14-5-7-32(8-6-14)15-3-4-16(24)19(9-15)37-23(26,27)28/h3-4,9-10,12-14,18,34H,5-8,11H2,1-2H3,(H,29,30,31)/t12-,13?,18+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.4	25
NOVARTIS AG US Patent					Assay Description The biochemical reactions were performed at room temperature in 384-well Greiner flat-bottom plates (Costar, Cat. No. 781201) using a final reaction ...				US Patent US9434719 (2016) BindingDB Entry DOI: 10.7270/Q2QV3KFR
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