BDBM244124 US9428492, 5::US9428492, 5a::US9428492, 5b

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

InChI Key: InChIKey=JVLGWSORNYPOBD-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 = 244124   

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))	BDBM244124 (US9428492, 5 | US9428492, 5a | US9428492, 5b) Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H28N8O/c1-13(2)21(32)23-26-15(4)28-31(23)20-10-19(24-14(3)25-20)30-11-16(12-30)22-27-17-8-6-7-9-18(17)29(22)5/h6-10,13,16,21,32H,11-12H2,1-5H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.340	-12.9	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))	BDBM244124 (US9428492, 5 | US9428492, 5a | US9428492, 5b) Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H28N8O/c1-13(2)21(32)23-26-15(4)28-31(23)20-10-19(24-14(3)25-20)30-11-16(12-30)22-27-17-8-6-7-9-18(17)29(22)5/h6-10,13,16,21,32H,11-12H2,1-5H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.410	-12.8	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))	BDBM244124 (US9428492, 5 | US9428492, 5a | US9428492, 5b) Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C Show InChI InChI=1S/C23H28N8O/c1-13(2)21(32)23-26-15(4)28-31(23)20-10-19(24-14(3)25-20)30-11-16(12-30)22-27-17-8-6-7-9-18(17)29(22)5/h6-10,13,16,21,32H,11-12H2,1-5H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.770	-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