Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM303466'   

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 [R132H] (Homo sapiens (Human))	BDBM303466 (BDBM303467 | US10138226, Example 2-8) Show SMILES CNC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1 |r| Show InChI InChI=1S/C25H29F3N4O2/c1-15-11-18(14-24(2,3)13-15)32-21-12-16(22(33)29-4)5-10-20(21)31-23(32)30-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,33)(H,30,31)/t15-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				US Patent US10138226 (2018) BindingDB Entry DOI: 10.7270/Q2N30010
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM303466 (BDBM303467 | US10138226, Example 2-8) Show SMILES CNC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@@H]3C[C@H](C)CC(C)(C)C3)c2c1 |r| Show InChI InChI=1S/C25H29F3N4O2/c1-15-11-18(14-24(2,3)13-15)32-21-12-16(22(33)29-4)5-10-20(21)31-23(32)30-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,33)(H,30,31)/t15-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				US Patent US10138226 (2018) BindingDB Entry DOI: 10.7270/Q2N30010
					More data for this Ligand-Target Pair