Compile Data Set for Download or QSAR

Found 423 hits with Last Name = 'landry' and Initial = 'dw'   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0440	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.0440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241831 (CHEMBL4062273 | US10626113, Compound M | US1089975...) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H21ClN4O2/c1-14(29)28-8-7-21-18(13-28)23(17-9-15(11-25)3-5-20(17)27-21)26-12-16-4-6-22(30-2)19(24)10-16/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241840 (CHEMBL4072903 | US10899756, Compound K) Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0590	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241840 (CHEMBL4072903 | US10899756, Compound K) Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0590	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM480487 (US10626113, Compound D | US10899756, Compound D) Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c3CN(C)CCc3nc12)C#N Show InChI InChI=1S/C24H25ClN4O/c1-4-17-9-16(12-26)10-18-23(17)28-21-7-8-29(2)14-19(21)24(18)27-13-15-5-6-22(30-3)20(25)11-15/h5-6,9-11H,4,7-8,13-14H2,1-3H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM480487 (US10626113, Compound D | US10899756, Compound D) Show SMILES CCc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c3CN(C)CCc3nc12)C#N Show InChI InChI=1S/C24H25ClN4O/c1-4-17-9-16(12-26)10-18-23(17)28-21-7-8-29(2)14-19(21)24(18)27-13-15-5-6-22(30-3)20(25)11-15/h5-6,9-11H,4,7-8,13-14H2,1-3H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241832 (CHEMBL4083986 | US10626113, Compound C | US1089975...) Show SMILES CCN1CCc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H23ClN4O/c1-3-28-9-8-21-18(14-28)23(17-10-15(12-25)4-6-20(17)27-21)26-13-16-5-7-22(29-2)19(24)11-16/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241832 (CHEMBL4083986 | US10626113, Compound C | US1089975...) Show SMILES CCN1CCc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H23ClN4O/c1-3-28-9-8-21-18(14-28)23(17-10-15(12-25)4-6-20(17)27-21)26-13-16-5-7-22(29-2)19(24)11-16/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241832 (CHEMBL4083986 | US10626113, Compound C | US1089975...) Show SMILES CCN1CCc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H23ClN4O/c1-3-28-9-8-21-18(14-28)23(17-10-15(12-25)4-6-20(17)27-21)26-13-16-5-7-22(29-2)19(24)11-16/h4-7,10-11H,3,8-9,13-14H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428976 (CHEMBL2333219) Show SMILES COc1ccc(CNc2c(CO)cnc3c(cc(cc23)C#N)C2CC2)cc1Cl Show InChI InChI=1S/C22H20ClN3O2/c1-28-20-5-2-13(8-19(20)23)10-25-21-16(12-27)11-26-22-17(15-3-4-15)6-14(9-24)7-18(21)22/h2,5-8,11,15,27H,3-4,10,12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.277	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241842 (CHEMBL4064315 | US10899756, Compound M) Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C(F)(F)F Show InChI InChI=1S/C22H19ClF3N3O2/c1-3-29-11-17-19(21(29)30)20(27-10-12-4-7-18(31-2)15(23)8-12)14-9-13(22(24,25)26)5-6-16(14)28-17/h4-9H,3,10-11H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241842 (CHEMBL4064315 | US10899756, Compound M) Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C(F)(F)F Show InChI InChI=1S/C22H19ClF3N3O2/c1-3-29-11-17-19(21(29)30)20(27-10-12-4-7-18(31-2)15(23)8-12)14-9-13(22(24,25)26)5-6-16(14)28-17/h4-9H,3,10-11H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of adenylate cyclase via Adenosine A1 receptor in rat fat cell membranes				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241835 (CHEMBL4092717 | US10899756, Compound AC) Show SMILES COc1c(F)cc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H20ClFN4O2/c1-13(30)29-6-5-21-17(12-29)22(16-7-14(10-26)3-4-20(16)28-21)27-11-15-8-18(24)23(31-2)19(25)9-15/h3-4,7-9H,5-6,11-12H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241835 (CHEMBL4092717 | US10899756, Compound AC) Show SMILES COc1c(F)cc(CNc2c3CN(CCc3nc3ccc(cc23)C#N)C(C)=O)cc1Cl Show InChI InChI=1S/C23H20ClFN4O2/c1-13(30)29-6-5-21-17(12-29)22(16-7-14(10-26)3-4-20(16)28-21)27-11-15-8-18(24)23(31-2)19(25)9-15/h3-4,7-9H,5-6,11-12H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428975 (CHEMBL2333220) Show SMILES COc1ccc(CNc2c(CO)cnc3c(cc(cc23)C#N)N(C)C)cc1Cl Show InChI InChI=1S/C21H21ClN4O2/c1-26(2)18-8-14(9-23)6-16-20(15(12-27)11-25-21(16)18)24-10-13-4-5-19(28-3)17(22)7-13/h4-8,11,27H,10,12H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50242157 (CHEMBL4070894 | US10626113, Compound B | US1089975...) Show SMILES COc1ccc(CNc2c3CN(C)CCc3nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H21ClN4O/c1-27-8-7-20-17(13-27)22(16-9-14(11-24)3-5-19(16)26-20)25-12-15-4-6-21(28-2)18(23)10-15/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428971 (CHEMBL2333224) Show SMILES COc1ccc(CNc2c(CO)cnc3c(cc(cc23)C#N)N2CCOCC2)cc1Cl Show InChI InChI=1S/C23H23ClN4O3/c1-30-21-3-2-15(9-19(21)24)12-26-22-17(14-29)13-27-23-18(22)8-16(11-25)10-20(23)28-4-6-31-7-5-28/h2-3,8-10,13,29H,4-7,12,14H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14776 (2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...) Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50242157 (CHEMBL4070894 | US10626113, Compound B | US1089975...) Show SMILES COc1ccc(CNc2c3CN(C)CCc3nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H21ClN4O/c1-27-8-7-20-17(13-27)22(16-9-14(11-24)3-5-19(16)26-20)25-12-15-4-6-21(28-2)18(23)10-15/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50242157 (CHEMBL4070894 | US10626113, Compound B | US1089975...) Show SMILES COc1ccc(CNc2c3CN(C)CCc3nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H21ClN4O/c1-27-8-7-20-17(13-27)22(16-9-14(11-24)3-5-19(16)26-20)25-12-15-4-6-21(28-2)18(23)10-15/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191859 (1-adamantan-1-yl-3-[1-(2,2,2-trifluoro-acetyl)-pip...) Show SMILES FC(F)(F)C(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C18H26F3N3O2/c19-18(20,21)15(25)24-3-1-14(2-4-24)22-16(26)23-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10H2,(H2,22,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14777 ((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241834 (CHEMBL4065036 | US10626113, Compound J | US1089975...) Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccc(F)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C22H18ClFN4O/c1-13(29)28-7-6-21-17(12-28)22(16-8-14(10-25)3-5-20(16)27-21)26-11-15-2-4-19(24)18(23)9-15/h2-5,8-9H,6-7,11-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241834 (CHEMBL4065036 | US10626113, Compound J | US1089975...) Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccc(F)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C22H18ClFN4O/c1-13(29)28-7-6-21-17(12-28)22(16-8-14(10-25)3-5-20(16)27-21)26-11-15-2-4-19(24)18(23)9-15/h2-5,8-9H,6-7,11-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241834 (CHEMBL4065036 | US10626113, Compound J | US1089975...) Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccc(F)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C22H18ClFN4O/c1-13(29)28-7-6-21-17(12-28)22(16-8-14(10-25)3-5-20(16)27-21)26-11-15-2-4-19(24)18(23)9-15/h2-5,8-9H,6-7,11-12H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241837 (CHEMBL4102913 | US10626113, Compound G | US1089975...) Show SMILES COc1ccc(CNc2c3CNCCc3nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H19ClN4O/c1-27-20-5-3-14(9-17(20)22)11-25-21-15-8-13(10-23)2-4-18(15)26-19-6-7-24-12-16(19)21/h2-5,8-9,24H,6-7,11-12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.55	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241837 (CHEMBL4102913 | US10626113, Compound G | US1089975...) Show SMILES COc1ccc(CNc2c3CNCCc3nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H19ClN4O/c1-27-20-5-3-14(9-17(20)22)11-25-21-15-8-13(10-23)2-4-18(15)26-19-6-7-24-12-16(19)21/h2-5,8-9,24H,6-7,11-12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.55	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25732 (3-adamantan-1-yl-1-cyclohexylurea | CHEMBL242255 |...) Show SMILES O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19| Show InChI InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241837 (CHEMBL4102913 | US10626113, Compound G | US1089975...) Show SMILES COc1ccc(CNc2c3CNCCc3nc3ccc(cc23)C#N)cc1Cl Show InChI InChI=1S/C21H19ClN4O/c1-27-20-5-3-14(9-17(20)22)11-25-21-15-8-13(10-23)2-4-18(15)26-19-6-7-24-12-16(19)21/h2-5,8-9,24H,6-7,11-12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50360348 (CHEMBL1933651) Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1 Show InChI InChI=1S/C21H32N2O3S/c1-16-9-10-20(17(2)15-16)27(25,26)23-13-11-18(12-14-23)21(24)22-19-7-5-3-4-6-8-19/h9-10,15,18-19H,3-8,11-14H2,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241843 (CHEMBL4102250 | US10899756, Compound N) Show SMILES CCN1Cc2nc3ccc(Cl)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O Show InChI InChI=1S/C21H19Cl2N3O2/c1-3-26-11-17-19(21(26)27)20(14-9-13(22)5-6-16(14)25-17)24-10-12-4-7-18(28-2)15(23)8-12/h4-9H,3,10-11H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241843 (CHEMBL4102250 | US10899756, Compound N) Show SMILES CCN1Cc2nc3ccc(Cl)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O Show InChI InChI=1S/C21H19Cl2N3O2/c1-3-26-11-17-19(21(26)27)20(14-9-13(22)5-6-16(14)25-17)24-10-12-4-7-18(28-2)15(23)8-12/h4-9H,3,10-11H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25737 (12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...) Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27| Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241839 (CHEMBL4083346) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(Br)cc23)C(C)=O)cc1Cl Show InChI InChI=1S/C22H21BrClN3O2/c1-13(28)27-8-7-20-17(12-27)22(16-10-15(23)4-5-19(16)26-20)25-11-14-3-6-21(29-2)18(24)9-14/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM480506 (US10899756, Compound AB) Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3cc(F)c(F)c(F)c3)c2C1)C#N Show InChI InChI=1S/C22H17F3N4O/c1-12(30)29-5-4-20-16(11-29)22(15-6-13(9-26)2-3-19(15)28-20)27-10-14-7-17(23)21(25)18(24)8-14/h2-3,6-8H,4-5,10-11H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241841 (CHEMBL4092040 | US10899756, Compound L) Show SMILES CCN1Cc2nc3ccc(OC)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O Show InChI InChI=1S/C22H22ClN3O3/c1-4-26-12-18-20(22(26)27)21(15-10-14(28-2)6-7-17(15)25-18)24-11-13-5-8-19(29-3)16(23)9-13/h5-10H,4,11-12H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241841 (CHEMBL4092040 | US10899756, Compound L) Show SMILES CCN1Cc2nc3ccc(OC)cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O Show InChI InChI=1S/C22H22ClN3O3/c1-4-26-12-18-20(22(26)27)21(15-10-14(28-2)6-7-17(15)25-18)24-11-13-5-8-19(29-3)16(23)9-13/h5-10H,4,11-12H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A1 using FAM-labelled cGMP as substrate after 60 mins by fluorescence polarization assay				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428972 (CHEMBL2333223) Show SMILES COc1ccc(CNc2c(CO)cnc3c(NC4CC4)cc(cc23)C#N)cc1Cl Show InChI InChI=1S/C22H21ClN4O2/c1-29-20-5-2-13(7-18(20)23)10-25-21-15(12-28)11-26-22-17(21)6-14(9-24)8-19(22)27-16-3-4-16/h2,5-8,11,16,27-28H,3-4,10,12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428974 (CHEMBL2333221) Show SMILES COc1ccc(CNc2c(CO)cnc3c(NCCN(C)C)cc(cc23)C#N)cc1Cl Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-6-26-20-10-16(11-25)8-18-22(17(14-30)13-28-23(18)20)27-12-15-4-5-21(31-3)19(24)9-15/h4-5,8-10,13,26,30H,6-7,12,14H2,1-3H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay				Eur J Med Chem 60: 285-94 (2013) Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191878 (1-(1-Acetyl-piperidin-4-ylmethyl)-3-adamantan-1-yl...) Show SMILES CC(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |TLB:11:12:15.14.19:17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C19H31N3O2/c1-13(23)22-4-2-14(3-5-22)12-20-18(24)21-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17H,2-12H2,1H3,(H2,20,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of epoxide hydrolase (unknown origin)				Bioorg Med Chem Lett 19: 2354-9 (2009) Article DOI: 10.1016/j.bmcl.2008.09.066 BindingDB Entry DOI: 10.7270/Q2J10322
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM480489 (US10626113, Compound F | US10899756, Compound F) Show SMILES COc1ccc(CNc2c3CNCCc3nc3ccc(Br)cc23)cc1Cl Show InChI InChI=1S/C20H19BrClN3O/c1-26-19-5-2-12(8-16(19)22)10-24-20-14-9-13(21)3-4-17(14)25-18-6-7-23-11-15(18)20/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...				US Patent US10899756 (2021) BindingDB Entry DOI: 10.7270/Q2RN3C0P
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM480489 (US10626113, Compound F | US10899756, Compound F) Show SMILES COc1ccc(CNc2c3CNCCc3nc3ccc(Br)cc23)cc1Cl Show InChI InChI=1S/C20H19BrClN3O/c1-26-19-5-2-12(8-16(19)22)10-24-20-14-9-13(21)3-4-17(14)25-18-6-7-23-11-15(18)20/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2KH0SFD
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50360341 (CHEMBL1933515) Show SMILES Fc1ccc(c(Br)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1 Show InChI InChI=1S/C19H26BrFN2O3S/c20-17-13-15(21)7-8-18(17)27(25,26)23-11-9-14(10-12-23)19(24)22-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' (Homo sapiens (Human))	BDBM50241840 (CHEMBL4072903 | US10899756, Compound K) Show SMILES CCN1Cc2nc3ccc(cc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O)C#N Show InChI InChI=1S/C22H19ClN4O2/c1-3-27-12-18-20(22(27)28)21(15-8-13(10-24)4-6-17(15)26-18)25-11-14-5-7-19(29-2)16(23)9-14/h4-9H,3,11-12H2,1-2H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of K+ stimulated gastric ATPase				J Med Chem 60: 8858-8875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00979 BindingDB Entry DOI: 10.7270/Q2J67K3P
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50360321 (CHEMBL1933497) Show SMILES Brc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1 Show InChI InChI=1S/C19H27BrN2O3S/c20-17-9-5-6-10-18(17)26(24,25)22-13-11-15(12-14-22)19(23)21-16-7-3-1-2-4-8-16/h5-6,9-10,15-16H,1-4,7-8,11-14H2,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191854 (CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(ada...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18| Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 mins by fluorescent assay				Bioorg Med Chem Lett 22: 601-5 (2011) Article DOI: 10.1016/j.bmcl.2011.10.074 BindingDB Entry DOI: 10.7270/Q2TM7BJ7
					More data for this Ligand-Target Pair

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