Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]' and Ligand = 'BDBM279889'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279889 (US10028961, Compound 36 | US10172864, Compound 36 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3CC3C2)nc(NC2CC3CC3C2)n1 Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-3-1-2-16(27-17)18-28-19(25-14-6-10-4-11(10)7-14)30-20(29-18)26-15-8-12-5-13(12)9-15/h1-3,10-15H,4-9H2,(H2,25,26,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description The following describes the experimental procedures that can be used to obtain data on columns 3 and 6 of Table 4.A test compound is prepared as 10 m...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279889 (US10028961, Compound 36 | US10172864, Compound 36 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3CC3C2)nc(NC2CC3CC3C2)n1 Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-3-1-2-16(27-17)18-28-19(25-14-6-10-4-11(10)7-14)30-20(29-18)26-15-8-12-5-13(12)9-15/h1-3,10-15H,4-9H2,(H2,25,26,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C] (Homo sapiens (Human))	BDBM279889 (US10028961, Compound 36 | US10172864, Compound 36 ...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CC3CC3C2)nc(NC2CC3CC3C2)n1 Show InChI InChI=1S/C21H23F3N6/c22-21(23,24)17-3-1-2-16(27-17)18-28-19(25-14-6-10-4-11(10)7-14)30-20(29-18)26-15-8-12-5-13(12)9-15/h1-3,10-15H,4-9H2,(H2,25,26,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Agios Pharmaceuticals, Inc. US Patent					Assay Description A test compound is prepared as 10 mM stock in DMSO and diluted to 50× final concentration in DMSO, for a 50 μl reaction mixture. IDH enzyme acti...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair