Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM303481'   

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))	BDBM303481 (BDBM303482 | US10138226, Example 2-18) Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CCS(=O)(=O)CC1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C29H35F3N4O4S/c1-18-14-22(17-28(2,3)16-18)36-25-15-19(26(37)33-21-10-12-41(38,39)13-11-21)4-9-24(25)35-27(36)34-20-5-7-23(8-6-20)40-29(30,31)32/h4-9,15,18,21-22H,10-14,16-17H2,1-3H3,(H,33,37)(H,34,35)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30E+3	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))	BDBM303481 (BDBM303482 | US10138226, Example 2-18) Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CCS(=O)(=O)CC1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;$| Show InChI InChI=1S/C29H35F3N4O4S/c1-18-14-22(17-28(2,3)16-18)36-25-15-19(26(37)33-21-10-12-41(38,39)13-11-21)4-9-24(25)35-27(36)34-20-5-7-23(8-6-20)40-29(30,31)32/h4-9,15,18,21-22H,10-14,16-17H2,1-3H3,(H,33,37)(H,34,35)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	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