BDBM390525 US10442772, Example 2-171-2::US9957235, 2-171::US9957235, 2-171-1::US9957235, 2-171-2

SMILES: COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1CCC(O)=O

InChI Key: InChIKey=GCGATJCXUINDSU-UZLBHIALSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 390525   

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))	BDBM390525 (US10442772, Example 2-171-2 | US9957235, 2-171 | U...) Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1CCC(O)=O Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-19-8-6-18(7-9-19)27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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))	BDBM390525 (US10442772, Example 2-171-2 | US9957235, 2-171 | U...) Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1CCC(O)=O Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-19-8-6-18(7-9-19)27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/m1/s1	PDB 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
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))	BDBM390525 (US10442772, Example 2-171-2 | US9957235, 2-171 | U...) Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1CCC(O)=O Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-19-8-6-18(7-9-19)27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/m1/s1	PDB 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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM390525 (US10442772, Example 2-171-2 | US9957235, 2-171 | U...) Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(F)(F)F)nc2cc1CCC(O)=O Show InChI InChI=1S/C27H32F3N3O3/c1-16-11-20(15-26(2,3)14-16)33-22-13-23(36-4)17(5-10-24(34)35)12-21(22)32-25(33)31-19-8-6-18(7-9-19)27(28,29)30/h6-9,12-13,16,20H,5,10-11,14-15H2,1-4H3,(H,31,32)(H,34,35)/t16-,20+/m1/s1	PDB 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