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SMILES: CC(C)Oc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN(C)C)cc3n12

InChI Key: InChIKey=VMGBREZRTHHNMB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 179980   

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 (Rattus norvegicus (rat))	BDBM179980 (US9669035, B-17) Show SMILES CC(C)Oc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN(C)C)cc3n12 Show InChI InChI=1S/C22H24ClN5O/c1-13(2)29-16-7-8-18(23)17(11-16)22-26-25-21-14(3)24-19-9-6-15(12-27(4)5)10-20(19)28(21)22/h6-11,13H,12H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+3	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
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM179980 (US9669035, B-17) Show SMILES CC(C)Oc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN(C)C)cc3n12 Show InChI InChI=1S/C22H24ClN5O/c1-13(2)29-16-7-8-18(23)17(11-16)22-26-25-21-14(3)24-19-9-6-15(12-27(4)5)10-20(19)28(21)22/h6-11,13H,12H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.8	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...				US Patent US9669035 (2017) BindingDB Entry DOI: 10.7270/Q2Z60M6H
					More data for this Ligand-Target Pair