BDBM244119 US9428492, 3::US9428492, 3a::US9428492, 3b

SMILES: Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C

InChI Key: InChIKey=KTOHNYWHPPXADM-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 244119   

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))	BDBM244119 (US9428492, 3 | US9428492, 3a | US9428492, 3b) Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0600	-13.9	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))	BDBM244119 (US9428492, 3 | US9428492, 3a | US9428492, 3b) Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.110	-13.6	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))	BDBM244119 (US9428492, 3 | US9428492, 3a | US9428492, 3b) Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-12.3	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))	BDBM244119 (US9428492, 3 | US9428492, 3a | US9428492, 3b) Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3	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