Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]' and Ligand = 'BDBM280031'   

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], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280031 (US10028961, Compound 184 | US10172864, Compound 18...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(C2)c2ccccc2)nc(NC2CCC(F)(F)C2)n1 Show InChI InChI=1S/C25H25F5N6/c26-24(27)12-11-18(14-24)32-23-35-21(19-7-4-8-20(33-19)25(28,29)30)34-22(36-23)31-17-10-9-16(13-17)15-5-2-1-3-6-15/h1-8,16-18H,9-14H2,(H2,31,32,34,35,36)	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	7.5	25
Agios Pharmaceuticals, Inc. US Patent					Assay Description Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10028961 (2018) BindingDB Entry DOI: 10.7270/Q2ZW1NXM
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280031 (US10028961, Compound 184 | US10172864, Compound 18...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(C2)c2ccccc2)nc(NC2CCC(F)(F)C2)n1 Show InChI InChI=1S/C25H25F5N6/c26-24(27)12-11-18(14-24)32-23-35-21(19-7-4-8-20(33-19)25(28,29)30)34-22(36-23)31-17-10-9-16(13-17)15-5-2-1-3-6-15/h1-8,16-18H,9-14H2,(H2,31,32,34,35,36)	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 Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10946023 (2021) BindingDB Entry DOI: 10.7270/Q2S46W3H
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q] (Homo sapiens (Human))	BDBM280031 (US10028961, Compound 184 | US10172864, Compound 18...) Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NC2CCC(C2)c2ccccc2)nc(NC2CCC(F)(F)C2)n1 Show InChI InChI=1S/C25H25F5N6/c26-24(27)12-11-18(14-24)32-23-35-21(19-7-4-8-20(33-19)25(28,29)30)34-22(36-23)31-17-10-9-16(13-17)15-5-2-1-3-6-15/h1-8,16-18H,9-14H2,(H2,31,32,34,35,36)	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 Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...				US Patent US10172864 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5JQ3
					More data for this Ligand-Target Pair