BDBM50129817 CHEMBL3628685

SMILES: COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1

InChI Key: InChIKey=DBNDIIUELFNMBG-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50129817   

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 4 (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of core catalytic domains of human PDE4 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE3B using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE5A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
Phosphodiesterase 6C (PDE6C) (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE6C using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE7A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE8A1 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	976	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human full-length PDE4B1 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
Phosphodiesterase 11A (PDE11A) (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE11A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE2A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE1A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human full-length PDE4D7 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50129817 (CHEMBL3628685) Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1 Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PDE9A2 using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay				Bioorg Med Chem 23: 7332-9 (2015) BindingDB Entry DOI: 10.7270/Q2GQ70KG
					More data for this Ligand-Target Pair