Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM287859'   

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))	BDBM287859 (6-[(2R)-2,3-dihydro-1,4- benzodioxin-2-ylcarbonyl]...) Show SMILES O=C([C@H]1COc2ccccc2O1)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@@H]2CC[C@H](C1)O2 |r| Show InChI InChI=1S/C27H26N4O4/c32-27(25-16-33-23-5-1-2-6-24(23)35-25)31-13-17-4-3-11-28-26(17)29-21-10-7-18(12-22(21)31)30-14-19-8-9-20(15-30)34-19/h1-7,10-12,19-20,25H,8-9,13-16H2,(H,28,29)/t19-,20?,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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))	BDBM287859 (6-[(2R)-2,3-dihydro-1,4- benzodioxin-2-ylcarbonyl]...) Show SMILES O=C([C@H]1COc2ccccc2O1)N1Cc2cccnc2Nc2ccc(cc12)N1C[C@@H]2CC[C@H](C1)O2 |r| Show InChI InChI=1S/C27H26N4O4/c32-27(25-16-33-23-5-1-2-6-24(23)35-25)31-13-17-4-3-11-28-26(17)29-21-10-7-18(12-22(21)31)30-14-19-8-9-20(15-30)34-19/h1-7,10-12,19-20,25H,8-9,13-16H2,(H,28,29)/t19-,20?,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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