Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A' and Ligand = 'BDBM50444038'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 (Rattus norvegicus (rat))	BDBM50444038 (CHEMBL3092563 | US9669035, B-5) Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1c(F)cccc1Cl |(32.38,-11.31,;31.04,-12.08,;29.71,-11.31,;28.38,-12.08,;27.05,-11.3,;25.72,-12.08,;25.72,-13.62,;24.39,-14.39,;23.06,-13.63,;23.06,-12.09,;21.73,-11.32,;20.39,-12.09,;20.39,-13.63,;21.73,-14.4,;27.05,-14.38,;28.38,-13.62,;29.71,-14.39,;30.03,-15.9,;31.56,-16.06,;32.19,-14.65,;31.04,-13.62,;28.92,-16.96,;27.44,-16.51,;27.08,-15.02,;26.32,-17.57,;26.68,-19.07,;28.16,-19.51,;29.28,-18.45,;30.75,-18.88,)| Show InChI InChI=1S/C21H19ClFN5O/c1-13-20-25-26-21(19-15(22)3-2-4-16(19)23)28(20)18-11-14(5-6-17(18)24-13)12-27-7-9-29-10-8-27/h2-6,11H,7-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of recombinant rat PDE10A expressed in baculovirus infected insect SF9 cells using [3H]-cAMP as substrate after 60 mins by scintillation p...				Bioorg Med Chem Lett 23: 6522-7 (2013) Article DOI: 10.1016/j.bmcl.2013.10.014 BindingDB Entry DOI: 10.7270/Q2KD20CQ
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50444038 (CHEMBL3092563 | US9669035, B-5) Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1c(F)cccc1Cl |(32.38,-11.31,;31.04,-12.08,;29.71,-11.31,;28.38,-12.08,;27.05,-11.3,;25.72,-12.08,;25.72,-13.62,;24.39,-14.39,;23.06,-13.63,;23.06,-12.09,;21.73,-11.32,;20.39,-12.09,;20.39,-13.63,;21.73,-14.4,;27.05,-14.38,;28.38,-13.62,;29.71,-14.39,;30.03,-15.9,;31.56,-16.06,;32.19,-14.65,;31.04,-13.62,;28.92,-16.96,;27.44,-16.51,;27.08,-15.02,;26.32,-17.57,;26.68,-19.07,;28.16,-19.51,;29.28,-18.45,;30.75,-18.88,)| Show InChI InChI=1S/C21H19ClFN5O/c1-13-20-25-26-21(19-15(22)3-2-4-16(19)23)28(20)18-11-14(5-6-17(18)24-13)12-27-7-9-29-10-8-27/h2-6,11H,7-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein expressed in MDCK-MDR1 cells by calcein AM assay				Citation and Details
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50444038 (CHEMBL3092563 | US9669035, B-5) Show SMILES Cc1nc2ccc(CN3CCOCC3)cc2n2c(nnc12)-c1c(F)cccc1Cl |(32.38,-11.31,;31.04,-12.08,;29.71,-11.31,;28.38,-12.08,;27.05,-11.3,;25.72,-12.08,;25.72,-13.62,;24.39,-14.39,;23.06,-13.63,;23.06,-12.09,;21.73,-11.32,;20.39,-12.09,;20.39,-13.63,;21.73,-14.4,;27.05,-14.38,;28.38,-13.62,;29.71,-14.39,;30.03,-15.9,;31.56,-16.06,;32.19,-14.65,;31.04,-13.62,;28.92,-16.96,;27.44,-16.51,;27.08,-15.02,;26.32,-17.57,;26.68,-19.07,;28.16,-19.51,;29.28,-18.45,;30.75,-18.88,)| Show InChI InChI=1S/C21H19ClFN5O/c1-13-20-25-26-21(19-15(22)3-2-4-16(19)23)28(20)18-11-14(5-6-17(18)24-13)12-27-7-9-29-10-8-27/h2-6,11H,7-10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.8	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Rat recombinant PDE10A (rPDE10A2) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of in...				US Patent US9669035 (2017) BindingDB Entry DOI: 10.7270/Q2Z60M6H
					More data for this Ligand-Target Pair