null

SMILES: CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1

InChI Key: InChIKey=SVGIEKTYEVCEOB-FDDCHVKYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 390647   

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))	BDBM390647 (US10442772, Example 2-237-1 | US9957235, 2-237 | U...) Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 |r| Show InChI InChI=1S/C28H37N3O2/c1-17(2)20-7-9-22(10-8-20)29-27-30-24-13-21(14-26(32)33)19(4)12-25(24)31(27)23-11-18(3)15-28(5,6)16-23/h7-10,12-13,17-18,23H,11,14-16H2,1-6H3,(H,29,30)(H,32,33)/t18-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				Bioorg Med Chem 14: 1378-90 (2006) BindingDB Entry DOI: 10.7270/Q2ZS2ZW7
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM390647 (US10442772, Example 2-237-1 | US9957235, 2-237 | U...) Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 |r| Show InChI InChI=1S/C28H37N3O2/c1-17(2)20-7-9-22(10-8-20)29-27-30-24-13-21(14-26(32)33)19(4)12-25(24)31(27)23-11-18(3)15-28(5,6)16-23/h7-10,12-13,17-18,23H,11,14-16H2,1-6H3,(H,29,30)(H,32,33)/t18-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				Bioorg Med Chem 14: 1378-90 (2006) BindingDB Entry DOI: 10.7270/Q2ZS2ZW7
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM390647 (US10442772, Example 2-237-1 | US9957235, 2-237 | U...) Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 |r| Show InChI InChI=1S/C28H37N3O2/c1-17(2)20-7-9-22(10-8-20)29-27-30-24-13-21(14-26(32)33)19(4)12-25(24)31(27)23-11-18(3)15-28(5,6)16-23/h7-10,12-13,17-18,23H,11,14-16H2,1-6H3,(H,29,30)(H,32,33)/t18-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 μL and the following assay buffer conditions...				US Patent US10442772 (2019) BindingDB Entry DOI: 10.7270/Q21R6SVH
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM390647 (US10442772, Example 2-237-1 | US9957235, 2-237 | U...) Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 |r| Show InChI InChI=1S/C28H37N3O2/c1-17(2)20-7-9-22(10-8-20)29-27-30-24-13-21(14-26(32)33)19(4)12-25(24)31(27)23-11-18(3)15-28(5,6)16-23/h7-10,12-13,17-18,23H,11,14-16H2,1-6H3,(H,29,30)(H,32,33)/t18-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description The biochemical reactions were performed at 32° C. in 384-well plates using a reaction volume of 41 μL and the following assay buffer conditions...				US Patent US10442772 (2019) BindingDB Entry DOI: 10.7270/Q21R6SVH
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM390647 (US10442772, Example 2-237-1 | US9957235, 2-237 | U...) Show SMILES CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(C)cc3n2[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 |r| Show InChI InChI=1S/C28H37N3O2/c1-17(2)20-7-9-22(10-8-20)29-27-30-24-13-21(14-26(32)33)19(4)12-25(24)31(27)23-11-18(3)15-28(5,6)16-23/h7-10,12-13,17-18,23H,11,14-16H2,1-6H3,(H,29,30)(H,32,33)/t18-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				Bioorg Med Chem 14: 1378-90 (2006) BindingDB Entry DOI: 10.7270/Q2ZS2ZW7
					More data for this Ligand-Target Pair