Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM287852'   

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))	BDBM287852 (8-morpholin-4-yl-6- (spiro[2.5]oct-4- ylcarbonyl)-...) Show SMILES O=C(C1CCCCC11CC1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1 Show InChI InChI=1S/C25H30N4O2/c30-24(20-5-1-2-8-25(20)9-10-25)29-17-18-4-3-11-26-23(18)27-21-7-6-19(16-22(21)29)28-12-14-31-15-13-28/h3-4,6-7,11,16,20H,1-2,5,8-10,12-15,17H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.91E+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))	BDBM287852 (8-morpholin-4-yl-6- (spiro[2.5]oct-4- ylcarbonyl)-...) Show SMILES O=C(C1CCCCC11CC1)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1 Show InChI InChI=1S/C25H30N4O2/c30-24(20-5-1-2-8-25(20)9-10-25)29-17-18-4-3-11-26-23(18)27-21-7-6-19(16-22(21)29)28-12-14-31-15-13-28/h3-4,6-7,11,16,20H,1-2,5,8-10,12-15,17H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.91E+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