Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM287910'   

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))	BDBM287910 ((R)-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(8-(3,3,3...) Show SMILES FC(F)(F)CCc1ccc2Nc3ncccc3CN(C(=O)[C@H]3COc4ccccc4O3)c2c1 |r| Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)10-9-15-7-8-17-18(12-15)30(13-16-4-3-11-28-22(16)29-17)23(31)21-14-32-19-5-1-2-6-20(19)33-21/h1-8,11-12,21H,9-10,13-14H2,(H,28,29)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10508108 (2019) BindingDB Entry DOI: 10.7270/Q2N018X9
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM287910 ((R)-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)(8-(3,3,3...) Show SMILES FC(F)(F)CCc1ccc2Nc3ncccc3CN(C(=O)[C@H]3COc4ccccc4O3)c2c1 |r| Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)10-9-15-7-8-17-18(12-15)30(13-16-4-3-11-28-22(16)29-17)23(31)21-14-32-19-5-1-2-6-20(19)33-21/h1-8,11-12,21H,9-10,13-14H2,(H,28,29)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	25
Merck Sharp & Dohme Corp. US Patent					Assay Description Each test compound (10 mM stock in DMSO) is diluted in DMSO to make a 10-point, 3-fold dilution series. 125 nL of each dilution or DMSO alone is disp...				US Patent US10086000 (2018) BindingDB Entry DOI: 10.7270/Q2N58PCG
					More data for this Ligand-Target Pair