BDBM244149 US9428492, 19::US9428492, 19a

SMILES: CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C

InChI Key: InChIKey=QLHCGKWHKVNLHB-XAUUPUKJSA-N

Data: 2 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 244149   

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
Phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM244149 (US9428492, 19 | US9428492, 19a) Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r| Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14?,15-,19?/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.550	-12.6	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
Phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM244149 (US9428492, 19 | US9428492, 19a) Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r| Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14?,15-,19?/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	-12.1	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))	BDBM244149 (US9428492, 19 | US9428492, 19a) Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r| Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14?,15-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+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