Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM287816'   

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))	BDBM287816 (8-morpholin-4-yl-6- [(3aS,5R,7aS)-octahydro- 1-ben...) Show SMILES O=C([C@H]1CC[C@@H]2OCC[C@@H]2C1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1 |r| Show InChI InChI=1S/C25H30N4O3/c30-25(18-3-6-23-17(14-18)7-11-32-23)29-16-19-2-1-8-26-24(19)27-21-5-4-20(15-22(21)29)28-9-12-31-13-10-28/h1-2,4-5,8,15,17-18,23H,3,6-7,9-14,16H2,(H,26,27)/t17-,18+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.52E+3	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))	BDBM287816 (8-morpholin-4-yl-6- [(3aS,5R,7aS)-octahydro- 1-ben...) Show SMILES O=C([C@H]1CC[C@@H]2OCC[C@@H]2C1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1 |r| Show InChI InChI=1S/C25H30N4O3/c30-25(18-3-6-23-17(14-18)7-11-32-23)29-16-19-2-1-8-26-24(19)27-21-5-4-20(15-22(21)29)28-9-12-31-13-10-28/h1-2,4-5,8,15,17-18,23H,3,6-7,9-14,16H2,(H,26,27)/t17-,18+,23+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.52E+3	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