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SMILES: COCc1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C

InChI Key: InChIKey=BCXVMJGBVMARTJ-YSSOQSIOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 244157   

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
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM244157 (US9428492, C) Show SMILES COCc1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r| Show InChI InChI=1S/C21H23N7O/c1-12-22-17(10-19(23-12)28-20(11-29-4)24-13(2)26-28)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)3/h5-8,10,14-15H,9,11H2,1-4H3/t14?,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.490	-12.7	n/a	n/a	n/a	n/a	n/a	7.2	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...				US Patent US9428492 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TKM
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM244157 (US9428492, C) Show SMILES COCc1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r| Show InChI InChI=1S/C21H23N7O/c1-12-22-17(10-19(23-12)28-20(11-29-4)24-13(2)26-28)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)3/h5-8,10,14-15H,9,11H2,1-4H3/t14?,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibition assay using CYP2C9				US Patent US9428492 (2016) BindingDB Entry DOI: 10.7270/Q2HD7TKM
					More data for this Ligand-Target Pair