BDBM244133 US9428492, 8::US9428492, 8a::US9428492, 8b

SMILES: CC(O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C

InChI Key: InChIKey=HBSKAAGRJYPJCT-UHFFFAOYSA-N

Data: 3 KI

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 = 244133   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM244133 (US9428492, 8 | US9428492, 8a | US9428492, 8b) Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H21F3N8O/c1-11(33)18-25-12(2)29-32(18)17-8-16(27-20(28-17)21(22,23)24)31-9-13(10-31)19-26-14-6-4-5-7-15(14)30(19)3/h4-8,11,13,33H,9-10H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.530	-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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM244133 (US9428492, 8 | US9428492, 8a | US9428492, 8b) Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H21F3N8O/c1-11(33)18-25-12(2)29-32(18)17-8-16(27-20(28-17)21(22,23)24)31-9-13(10-31)19-26-14-6-4-5-7-15(14)30(19)3/h4-8,11,13,33H,9-10H2,1-3H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.830	-12.4	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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM244133 (US9428492, 8 | US9428492, 8a | US9428492, 8b) Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C21H21F3N8O/c1-11(33)18-25-12(2)29-32(18)17-8-16(27-20(28-17)21(22,23)24)31-9-13(10-31)19-26-14-6-4-5-7-15(14)30(19)3/h4-8,11,13,33H,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