BDBM135817 US10085990, Example 84::US10568888, Example 84::US8853226, 84::US9393245, 84::US9833457, 84

SMILES: COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O

InChI Key: InChIKey=JMKXHWHMULJLQG-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 135817   

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-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
High Point Pharmaceuticals, LLC US Patent					Assay Description A TR-FRET-based phosphodiesterase assay kit from "Molecular Devices" was used to test whether these compounds were indeed direct inhibitors of the PD...				US Patent US8853226 (2014) BindingDB Entry DOI: 10.7270/Q28C9TZS
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	827	n/a	n/a	n/a	n/a	n/a	n/a
High Point Pharmaceuticals, LLC US Patent					Assay Description A TR-FRET-based phosphodiesterase assay kit from "Molecular Devices" was used to test whether these compounds were indeed direct inhibitors of the PD...				US Patent US8853226 (2014) BindingDB Entry DOI: 10.7270/Q28C9TZS
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
phosphodiesterase 4B2 (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	30
vTv Therapeutics LLC US Patent					Assay Description The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffe...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
phosphodiesterase 4D (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	827	n/a	n/a	n/a	n/a	n/a	30
vTv Therapeutics LLC US Patent					Assay Description The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffe...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	827	n/a	n/a	n/a	n/a	n/a	n/a
vTv Therapeutics LLC US Patent					Assay Description The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffer (DTT or Mn...				US Patent US10568888 (2020) BindingDB Entry DOI: 10.7270/Q2ST7S7B
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffer (DTT or Mn...				US Patent US10085990 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QRM
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	827	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffer (DTT or Mn...				US Patent US10085990 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QRM
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (PDE4B2) (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
vTv Therapeutics LLC US Patent					Assay Description A TR-FRET-based phosphodiesterase assay kit from Molecular Devices was used to test whether these compounds were indeed direct inhibitors of the PDE4...				US Patent US9833457 (2017) BindingDB Entry DOI: 10.7270/Q26W9DB9
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	827	n/a	n/a	n/a	n/a	n/a	n/a
vTv Therapeutics LLC US Patent					Assay Description A TR-FRET-based phosphodiesterase assay kit from Molecular Devices was used to test whether these compounds were indeed direct inhibitors of the PDE4...				US Patent US9833457 (2017) BindingDB Entry DOI: 10.7270/Q26W9DB9
					More data for this Ligand-Target Pair
3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
vTv Therapeutics LLC US Patent					Assay Description The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffer (DTT or Mn...				US Patent US10568888 (2020) BindingDB Entry DOI: 10.7270/Q2ST7S7B
					More data for this Ligand-Target Pair
Lipopolysaccharide-induced tumor necrosis factor-alpha factor (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
vTv Therapeutics LLC US Patent					Assay Description Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...				US Patent US10085990 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QRM
					More data for this Ligand-Target Pair