null

SMILES: COC(=O)N1CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=HBUVPQWRGSFFAM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 279912   

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 [R132H] (Homo sapiens (Human))	BDBM279912 (US10028961, Compound 59 | US10172864, Compound 59 ...) Show SMILES COC(=O)N1CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C20H22F5N7O2/c1-34-18(33)32-8-6-12(10-32)27-17-30-15(13-3-2-4-14(28-13)20(23,24)25)29-16(31-17)26-11-5-7-19(21,22)9-11/h2-4,11-12H,5-10H2,1H3,(H2,26,27,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	6.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279912 (US10028961, Compound 59 | US10172864, Compound 59 ...) Show SMILES COC(=O)N1CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C20H22F5N7O2/c1-34-18(33)32-8-6-12(10-32)27-17-30-15(13-3-2-4-14(28-13)20(23,24)25)29-16(31-17)26-11-5-7-19(21,22)9-11/h2-4,11-12H,5-10H2,1H3,(H2,26,27,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM279912 (US10028961, Compound 59 | US10172864, Compound 59 ...) Show SMILES COC(=O)N1CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F Show InChI InChI=1S/C20H22F5N7O2/c1-34-18(33)32-8-6-12(10-32)27-17-30-15(13-3-2-4-14(28-13)20(23,24)25)29-16(31-17)26-11-5-7-19(21,22)9-11/h2-4,11-12H,5-10H2,1H3,(H2,26,27,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description In the primary reaction, the reduction of α-KG acid to 2-HG is accompanied by a concomitant oxidation of NADPH to NADP. The amount of NADPH rema...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair