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SMILES: FC12CC3CC(F)(C1)CC(C3)(C2)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1

InChI Key: InChIKey=RGFSGIZGUMBUDS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 287814   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM287814 (6-[(3,5- difluorotricyclo[3.3.1.1~3,7~] dec-1-yl)c...) Show SMILES FC12CC3CC(F)(C1)CC(C3)(C2)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1 |THB:2:3:8:7.11.1,10:3:7:8.11.9| Show InChI InChI=1S/C27H30F2N4O2/c28-26-12-18-11-25(15-26,16-27(29,13-18)17-26)24(34)33-14-19-2-1-5-30-23(19)31-21-4-3-20(10-22(21)33)32-6-8-35-9-7-32/h1-5,10,18H,6-9,11-17H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	97	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))	BDBM287814 (6-[(3,5- difluorotricyclo[3.3.1.1~3,7~] dec-1-yl)c...) Show SMILES FC12CC3CC(F)(C1)CC(C3)(C2)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CCOCC1 |THB:2:3:8:7.11.1,10:3:7:8.11.9| Show InChI InChI=1S/C27H30F2N4O2/c28-26-12-18-11-25(15-26,16-27(29,13-18)17-26)24(34)33-14-19-2-1-5-30-23(19)31-21-4-3-20(10-22(21)33)32-6-8-35-9-7-32/h1-5,10,18H,6-9,11-17H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	97	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