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SMILES: CC1(CCc2ccccc2C1)C(=O)N1Cc2cccnc2Nc2ccccc12

InChI Key: InChIKey=FWCCAQQYZOTNTF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 287805   

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))	BDBM287805 (6-[(2-methyl-1,2,3,4- tetrahydronaphthalen-2- yl)c...) Show SMILES CC1(CCc2ccccc2C1)C(=O)N1Cc2cccnc2Nc2ccccc12 Show InChI InChI=1S/C24H23N3O/c1-24(13-12-17-7-2-3-8-18(17)15-24)23(28)27-16-19-9-6-14-25-22(19)26-20-10-4-5-11-21(20)27/h2-11,14H,12-13,15-16H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	611	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))	BDBM287805 (6-[(2-methyl-1,2,3,4- tetrahydronaphthalen-2- yl)c...) Show SMILES CC1(CCc2ccccc2C1)C(=O)N1Cc2cccnc2Nc2ccccc12 Show InChI InChI=1S/C24H23N3O/c1-24(13-12-17-7-2-3-8-18(17)15-24)23(28)27-16-19-9-6-14-25-22(19)26-20-10-4-5-11-21(20)27/h2-11,14H,12-13,15-16H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	611	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