Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'saeed' and Initial = 'f'   

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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as reduction in CO2 hydration preincubated for 10 mins by stopped flow assay				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					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))	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50276359 (CHEMBL4129303) Show SMILES Cc1ccc2oc(=O)c(cc2c1)-c1cccc(Br)c1 Show InChI InChI=1S/C16H11BrO2/c1-10-5-6-15-12(7-10)9-14(16(18)19-15)11-3-2-4-13(17)8-11/h2-9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.134	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human MAO-B using p-tyramine as substrate after 15 mins by amplex red reagent based assay				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					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))	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	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))	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))	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))	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
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)
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))	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
Polyphenol oxidase 2 (Agaricus bisporus (Common mushroom))	BDBM50276368 (CHEMBL4128371) Show SMILES COc1cc(ccc1OCc1ccccc1)C1CC(=NN1c1nc(cs1)-c1ccc(Br)cc1)c1cc2ccccc2oc1=O |c:20| Show InChI InChI=1S/C35H26BrN3O4S/c1-41-33-18-24(13-16-32(33)42-20-22-7-3-2-4-8-22)30-19-28(27-17-25-9-5-6-10-31(25)43-34(27)40)38-39(30)35-37-29(21-44-35)23-11-14-26(36)15-12-23/h2-18,21,30H,19-20H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					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
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50428973 (CHEMBL2333222) Show SMILES CCNc1cc(cc2c(NCc3ccc(OC)c(Cl)c3)c(CO)cnc12)C#N Show InChI InChI=1S/C21H21ClN4O2/c1-3-24-18-8-14(9-23)6-16-20(15(12-27)11-26-21(16)18)25-10-13-4-5-19(28-2)17(22)7-13/h4-8,11,24,27H,3,10,12H2,1-2H3,(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	15	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
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM15579 (CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...) Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C |r| Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human MAO-B using p-tyramine as substrate after 15 mins by amplex red reagent based assay				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50242154 (CHEMBL4099788 | US10626113, Compound A | US1089975...) Show SMILES COc1ccc(CNc2c3CN(C)CCc3nc3ccc(Br)cc23)cc1Cl Show InChI InChI=1S/C21H21BrClN3O/c1-26-8-7-19-16(12-26)21(15-10-14(22)4-5-18(15)25-19)24-11-13-3-6-20(27-2)17(23)9-13/h3-6,9-10H,7-8,11-12H2,1-2H3,(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	22	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
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha' (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)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE6C 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))	BDBM50241838 (CHEMBL4061516) Show SMILES COc1ccc2nc3CCN(Cc3c(NCc3ccc(OC)c(Cl)c3)c2c1)C(C)=O Show InChI InChI=1S/C23H24ClN3O3/c1-14(28)27-9-8-21-18(13-27)23(17-11-16(29-2)5-6-20(17)26-21)25-12-15-4-7-22(30-3)19(24)10-15/h4-7,10-11H,8-9,12-13H2,1-3H3,(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	45	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))	BDBM50242155 (CHEMBL4100445 | US10899756, Compound AA) Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccnc(Cl)c3)c2C1)C#N Show InChI InChI=1S/C21H18ClN5O/c1-13(28)27-7-5-19-17(12-27)21(25-11-15-4-6-24-20(22)9-15)16-8-14(10-23)2-3-18(16)26-19/h2-4,6,8-9H,5,7,11-12H2,1H3,(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	57	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))	BDBM50242158 (CHEMBL4084285 | US10899756, Compound 0) Show SMILES CCN1Cc2nc3ccccc3c(NCc3ccc(OC)c(Cl)c3)c2C1=O Show InChI InChI=1S/C21H20ClN3O2/c1-3-25-12-17-19(21(25)26)20(14-6-4-5-7-16(14)24-17)23-11-13-8-9-18(27-2)15(22)10-13/h4-10H,3,11-12H2,1-2H3,(H,23,24)	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	64	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's metho...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50242159 (CHEMBL4084966) Show SMILES COc1ccc(CNc2c3CN(CCc3nc3ccc(C)cc23)C(C)=O)cc1Cl Show InChI InChI=1S/C23H24ClN3O2/c1-14-4-6-20-17(10-14)23(18-13-27(15(2)28)9-8-21(18)26-20)25-12-16-5-7-22(29-3)19(24)11-16/h4-7,10-11H,8-9,12-13H2,1-3H3,(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	110	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 gastric H+/K+ 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
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193852 ((E)-3-(2-(2-(1-(4-bromophenyl)ethylidene)hydraziny...) Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Br)cc1 Show InChI InChI=1S/C20H14BrN3O2S/c1-12(13-6-8-15(21)9-7-13)23-24-20-22-17(11-27-20)16-10-14-4-2-3-5-18(14)26-19(16)25/h2-11H,1H3,(H,22,24)/b23-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of calf lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV sp...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human COX1 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by TLC				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50276360 (CHEMBL4126559) Show SMILES CCN1C(C)=CC\C1=N\N=C(/C)c1cc2ccccc2oc1=O |c:4| Show InChI InChI=1S/C18H19N3O2/c1-4-21-12(2)9-10-17(21)20-19-13(3)15-11-14-7-5-6-8-16(14)23-18(15)22/h5-9,11H,4,10H2,1-3H3/b19-13+,20-17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TL...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193866 (3-(4-((2-Chlorophenylamino)methyl)-5-thioxo-4,5-di...) Show SMILES Clc1ccccc1NCn1nc(oc1=S)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C18H12ClN3O3S/c19-13-6-2-3-7-14(13)20-10-22-18(26)25-16(21-22)12-9-11-5-1-4-8-15(11)24-17(12)23/h1-9,20H,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of calf lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV sp...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50276366 (CHEMBL4129984) Show SMILES CCOC(=O)C1=C(C)N(CC)\C(C1)=N/N=C(\C)c1cc2ccccc2oc1=O |c:5| Show InChI InChI=1S/C21H23N3O4/c1-5-24-14(4)17(20(25)27-6-2)12-19(24)23-22-13(3)16-11-15-9-7-8-10-18(15)28-21(16)26/h7-11H,5-6,12H2,1-4H3/b22-13+,23-19-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TL...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50276369 (CHEMBL4127948) Show SMILES CN1C(C)=CC\C1=N\N=C(/C)c1cc2ccccc2oc1=O |c:3| Show InChI InChI=1S/C17H17N3O2/c1-11-8-9-16(20(11)3)19-18-12(2)14-10-13-6-4-5-7-15(13)22-17(14)21/h4-8,10H,9H2,1-3H3/b18-12+,19-16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TL...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50276310 (CHEMBL4127794) Show SMILES CN1C(=O)CC\C1=N\N=C(/C)c1cc2ccccc2oc1=O Show InChI InChI=1S/C16H15N3O3/c1-10(17-18-14-7-8-15(20)19(14)2)12-9-11-5-3-4-6-13(11)22-16(12)21/h3-6,9H,7-8H2,1-2H3/b17-10+,18-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TL...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50242156 (CHEMBL4096417 | US10899756, Compound P) Show SMILES COc1ccc(CNc2c3C(=O)N(Cc3nc3ccccc23)C(C)(C)C)cc1Cl Show InChI InChI=1S/C23H24ClN3O2/c1-23(2,3)27-13-18-20(22(27)28)21(15-7-5-6-8-17(15)26-18)25-12-14-9-10-19(29-4)16(24)11-14/h5-11H,12-13H2,1-4H3,(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	333	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))	BDBM50241833 (CHEMBL4073617 | US10626113, Compound I | US1089975...) Show SMILES CC(=O)N1CCc2nc3ccc(cc3c(NCc3ccc(OC(F)(F)F)c(Cl)c3)c2C1)C#N Show InChI InChI=1S/C23H18ClF3N4O2/c1-13(32)31-7-6-20-17(12-31)22(16-8-14(10-28)2-4-19(16)30-20)29-11-15-3-5-21(18(24)9-15)33-23(25,26)27/h2-5,8-9H,6-7,11-12H2,1H3,(H,29,30)	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	337	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
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193869 (3-(4-(Morpholinomethyl)-5-thioxo-4,5-dihydro-1,3,4...) Show SMILES O=c1oc2ccccc2cc1-c1nn(CN2CCOCC2)c(=S)o1 Show InChI InChI=1S/C16H15N3O4S/c20-15-12(9-11-3-1-2-4-13(11)22-15)14-17-19(16(24)23-14)10-18-5-7-21-8-6-18/h1-4,9H,5-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of calf lens ALR2 using D,L-glyceraldehyde as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV sp...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TL...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50276367 (CHEMBL4129191) Show SMILES CC1C\C(=N\N=C(/C)c2cc3ccccc3oc2=O)N(C)C1=O Show InChI InChI=1S/C17H17N3O3/c1-10-8-15(20(3)16(10)21)19-18-11(2)13-9-12-6-4-5-7-14(12)23-17(13)22/h4-7,9-10H,8H2,1-3H3/b18-11+,19-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TL...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193860 ((E)-3-(2-(2-((2-amino-4-chlorophenyl)(phenyl)methy...) Show SMILES C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Cl)cc1N Show InChI InChI=1S/C25H17ClN4O2S/c26-17-10-11-18(20(27)13-17)23(15-6-2-1-3-7-15)29-30-25-28-21(14-33-25)19-12-16-8-4-5-9-22(16)32-24(19)31/h1-14H,27H2,(H,28,30)/b29-23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	459	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of bovine kidney ALR1 using D-glucoronic acid as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Intestinal-type alkaline phosphatase (Bos taurus (Cattle))	BDBM50276361 (CHEMBL4129493) Show SMILES Cc1ccc(c(C)c1)-n1c(cs\c1=N\NC(=O)c1cc2ccccc2oc1=O)-c1cc2ccccc2oc1=O |(6.52,-45.77,;7.43,-44.52,;8.97,-44.68,;9.87,-43.44,;9.24,-42.03,;7.71,-41.87,;7.93,-40.44,;6.8,-43.11,;10.15,-40.79,;11.69,-40.79,;12.17,-39.33,;10.92,-38.42,;9.68,-39.33,;8.21,-38.85,;7,-39.8,;5.6,-39.41,;4.45,-40.44,;5.28,-37.9,;6.42,-36.87,;6.1,-35.36,;7.24,-34.34,;6.93,-32.83,;5.46,-32.35,;4.32,-33.38,;4.64,-34.88,;3.49,-35.91,;3.8,-37.42,;2.66,-38.46,;12.6,-42.04,;14.13,-41.87,;15.03,-43.13,;16.56,-42.98,;17.45,-44.22,;16.82,-45.63,;15.29,-45.78,;14.39,-44.53,;12.86,-44.69,;11.97,-43.45,;10.46,-43.84,)| Show InChI InChI=1S/C30H21N3O5S/c1-17-11-12-23(18(2)13-17)33-24(21-14-19-7-3-5-9-25(19)37-28(21)35)16-39-30(33)32-31-27(34)22-15-20-8-4-6-10-26(20)38-29(22)36/h3-16H,1-2H3,(H,31,34)/b32-30+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of calf intestinal alkaline phosphatase using pNPP as substrate preincubated for 10 mins followed by substrate addition measured after 30 ...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's metho...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human COX2 using [14C]arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 45 mins by TL...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-dependent 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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Curated by ChEMBL					Assay Description Inhibition of PDE2 (unknown origin) using FAM-cGMP and FAM-cAMP 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
Aldo-keto reductase family 1 member B1 (Bos taurus)	BDBM193864 (3-(4-((Butylamino)methyl)-5-thioxo-4,5-dihydro-1,3...) Show SMILES CCCCNCn1nc(oc1=S)-c1cc2ccccc2oc1=O Show InChI InChI=1S/C16H17N3O3S/c1-2-3-8-17-10-19-16(23)22-14(18-19)12-9-11-6-4-5-7-13(11)21-15(12)20/h4-7,9,17H,2-3,8,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbottabad University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of bovine kidney ALR1 using D-glucoronic acid as substrate preincubated for 5 mins followed by NADPH addition measured after 10 mins by UV...				Bioorg Med Chem 26: 3731-3762 (2018) Article DOI: 10.1016/j.bmc.2018.05.042 BindingDB Entry DOI: 10.7270/Q29889HN
					More data for this Ligand-Target Pair

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