Compile Data Set for Download or QSAR

Found 415 hits with Last Name = 'goss' and Initial = 'j'   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287520 (CHEMBL4159883) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1 Show InChI InChI=1S/C19H20ClN5O4S/c1-12(16-11-21-25(2)23-16)22-19(26)13-4-9-17(29-3)18(10-13)30(27,28)24-15-7-5-14(20)6-8-15/h4-12,24H,1-3H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287557 (CHEMBL4159568) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)NCc1nc(C)no1 Show InChI InChI=1S/C19H20N4O5S/c1-12-4-7-15(8-5-12)23-29(25,26)17-10-14(6-9-16(17)27-3)19(24)20-11-18-21-13(2)22-28-18/h4-10,23H,11H2,1-3H3,(H,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287554 (CHEMBL4162926) Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C19H20N4O4S/c1-12-4-8-16(9-5-12)23-28(25,26)17-10-15(7-6-13(17)2)19(24)20-11-18-21-14(3)22-27-18/h4-10,23H,11H2,1-3H3,(H,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287553 (CHEMBL4166791) Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2ccno2)n1 Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)22-12-20-24-14(2)25-31-20)11-19(13)32(28,29)26-17-7-5-15(6-8-17)18-9-10-23-30-18/h3-11,26H,12H2,1-2H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287559 (CHEMBL4170197) Show SMILES Cc1noc(CNC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C18H18N4O4S/c1-12-6-8-15(9-7-12)22-27(24,25)16-5-3-4-14(10-16)18(23)19-11-17-20-13(2)21-26-17/h3-10,22H,11H2,1-2H3,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287556 (CHEMBL4161489) Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)-c1ccno1)C(=O)NCc1cn(C)nn1 Show InChI InChI=1S/C21H20N6O4S/c1-14-3-4-16(21(28)22-12-18-13-27(2)26-24-18)11-20(14)32(29,30)25-17-7-5-15(6-8-17)19-9-10-23-31-19/h3-11,13,25H,12H2,1-2H3,(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287552 (CHEMBL4175004) Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NCc1cn(C)nn1 Show InChI InChI=1S/C18H18ClN5O3S/c1-12-3-4-13(18(25)20-10-16-11-24(2)23-21-16)9-17(12)28(26,27)22-15-7-5-14(19)6-8-15/h3-9,11,22H,10H2,1-2H3,(H,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287520 (CHEMBL4159883) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)C(=O)NC(C)c1cnn(C)n1 Show InChI InChI=1S/C19H20ClN5O4S/c1-12(16-11-21-25(2)23-16)22-19(26)13-4-9-17(29-3)18(10-13)30(27,28)24-15-7-5-14(20)6-8-15/h4-12,24H,1-3H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287558 (CHEMBL1333494) Show SMILES Cc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)NCc2cccnc2)cc1 Show InChI InChI=1S/C21H21N3O3S/c1-15-5-9-19(10-6-15)24-28(26,27)20-12-18(8-7-16(20)2)21(25)23-14-17-4-3-11-22-13-17/h3-13,24H,14H2,1-2H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287555 (CHEMBL4174695) Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C18H17ClN4O4S/c1-11-3-4-13(18(24)20-10-17-21-12(2)22-27-17)9-16(11)28(25,26)23-15-7-5-14(19)6-8-15/h3-9,23H,10H2,1-2H3,(H,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50287519 (CHEMBL4172084) Show SMILES Cc1noc(CNC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccc(cc2)-c2cnco2)n1 Show InChI InChI=1S/C21H19N5O5S/c1-13-3-4-16(21(27)23-11-20-24-14(2)25-31-20)9-19(13)32(28,29)26-17-7-5-15(6-8-17)18-10-22-12-30-18/h3-10,12,26H,11H2,1-2H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of fluorescent-labelled dofetilide from human ERG expressed in HEK293 cell membrane homogenates				ACS Med Chem Lett 9: 125-130 (2018) Article DOI: 10.1021/acsmedchemlett.7b00481 BindingDB Entry DOI: 10.7270/Q2KH0QVZ
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359779 (CHEMBL1928271) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC2CC2)c(c1)-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1 Show InChI InChI=1S/C28H40N8O5S/c1-3-23-24-25(32-36(23)12-9-34-13-15-40-16-14-34)27(37)31-26(30-24)22-17-21(18-29-28(22)41-19-20-5-6-20)42(38,39)35-10-7-33(4-2)8-11-35/h17-18,20H,3-16,19H2,1-2H3,(H,30,31,37)	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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50113443 (CHEMBL3604484) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1-c1ncccn1 Show InChI InChI=1S/C20H20ClN3O2S/c1-20(2,3)14-5-8-16(9-6-14)27(25,26)24-18-10-7-15(21)13-17(18)19-22-11-4-12-23-19/h4-13,24H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR9 receptor (unknown origin) assessed as inhibition of TECK-induced calcium mobilization incubated for 10 mins prior to TECK...				Bioorg Med Chem Lett 25: 3661-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.046 BindingDB Entry DOI: 10.7270/Q2RR2123
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501754 (CHEMBL4071396) Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H33N3O4/c1-19(31)26(27(32)29-33)28-25-4-2-3-23-17-21(11-12-24(23)25)8-5-20-6-9-22(10-7-20)18-30-13-15-34-16-14-30/h6-7,9-12,17,19,25-26,28,31,33H,2-4,13-16,18H2,1H3,(H,29,32)/t19-,25?,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359773 (CHEMBL1928265) Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(CC1)S(C)(=O)=O)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C28H42N8O6S2/c1-5-8-17-42-28-22(18-21(19-29-28)44(40,41)35-15-13-33(7-3)14-16-35)26-30-24-23(6-2)36(32-25(24)27(37)31-26)20-9-11-34(12-10-20)43(4,38)39/h18-20H,5-17H2,1-4H3,(H,30,31,37)	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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501764 (CHEMBL4061199) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r| Show InChI InChI=1S/C27H33N3O4/c1-27(2,32)25(26(31)29-33)28-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-30-13-15-34-16-14-30/h4-5,7-9,11,17,24-25,28,32-33H,10,12-16,18H2,1-2H3,(H,29,31)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359795 (CHEMBL1928258) Show SMILES CCCOc1ncc(cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C24H35N7O5S/c1-5-13-36-24-18(15-17(16-25-24)37(33,34)30-10-8-29(7-3)9-11-30)22-26-20-19(6-2)31(12-14-35-4)28-21(20)23(32)27-22/h15-16H,5-14H2,1-4H3,(H,26,27,32)	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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359767 (CHEMBL1928259) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC(C)C)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1 Show InChI InChI=1S/C25H37N7O5S/c1-6-20-21-22(29-32(20)12-13-36-5)24(33)28-23(27-21)19-14-18(15-26-25(19)37-16-17(3)4)38(34,35)31-10-8-30(7-2)9-11-31/h14-15,17H,6-13,16H2,1-5H3,(H,27,28,33)	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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359774 (CHEMBL1928266) Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(C)CC1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C28H42N8O4S/c1-5-8-17-40-28-22(18-21(19-29-28)41(38,39)35-15-13-34(7-3)14-16-35)26-30-24-23(6-2)36(32-25(24)27(37)31-26)20-9-11-33(4)12-10-20/h18-20H,5-17H2,1-4H3,(H,30,31,37)	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	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359768 (CHEMBL1928260) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCc2ccccn2)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N8O5S/c1-4-22-23-24(32-35(22)14-15-39-3)26(36)31-25(30-23)21-16-20(41(37,38)34-12-10-33(5-2)11-13-34)17-29-27(21)40-18-19-8-6-7-9-28-19/h6-9,16-17H,4-5,10-15,18H2,1-3H3,(H,30,31,36)	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	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359777 (CHEMBL1928269) Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(C)C1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C26H38N8O4S/c1-5-8-13-38-26-20(14-19(15-27-26)39(36,37)33-11-9-32(7-3)10-12-33)24-28-22-21(6-2)34(18-16-31(4)17-18)30-23(22)25(35)29-24/h14-15,18H,5-13,16-17H2,1-4H3,(H,28,29,35)	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	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359778 (CHEMBL1928270) Show SMILES CCOc1ncc(cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C26H38N8O5S/c1-4-21-22-23(30-34(21)12-9-32-13-15-38-16-14-32)25(35)29-24(28-22)20-17-19(18-27-26(20)39-6-3)40(36,37)33-10-7-31(5-2)8-11-33/h17-18H,4-16H2,1-3H3,(H,28,29,35)	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	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359771 (CHEMBL1928263) Show SMILES CCCCOc1ncc(cc1-c1nc2c(CC)n(CCN(C)C)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C26H40N8O4S/c1-6-9-16-38-26-20(17-19(18-27-26)39(36,37)33-13-11-32(8-3)12-14-33)24-28-22-21(7-2)34(15-10-31(4)5)30-23(22)25(35)29-24/h17-18H,6-16H2,1-5H3,(H,28,29,35)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359790 (CHEMBL1928253) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CC3CC3)nc2c(=O)[nH]1 Show InChI InChI=1S/C25H35N7O5S/c1-4-20-21-22(29-32(20)16-17-6-7-17)24(33)28-23(27-21)19-14-18(15-26-25(19)37-13-12-36-3)38(34,35)31-10-8-30(5-2)9-11-31/h14-15,17H,4-13,16H2,1-3H3,(H,27,28,33)	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	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501762 (CHEMBL4081478) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2C)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H28N4O3/c1-17(31)25(26(32)29-33)28-24-12-10-22-15-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)16-30-14-13-27-18(30)2/h4-5,7-9,11,13-15,17,24-25,28,31,33H,10,12,16H2,1-2H3,(H,29,32)/t17-,24+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501764 (CHEMBL4061199) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r| Show InChI InChI=1S/C27H33N3O4/c1-27(2,32)25(26(31)29-33)28-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-30-13-15-34-16-14-30/h4-5,7-9,11,17,24-25,28,32-33H,10,12-16,18H2,1-2H3,(H,29,31)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501779 (CHEMBL4102207) Show SMILES C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-24-17-34-16-22-14-20(8-9-23(22)24)5-2-19-3-6-21(7-4-19)15-29-10-12-33-13-11-29/h3-4,6-9,14,18,24-25,27,30,32H,10-13,15-17H2,1H3,(H,28,31)/t18-,24?,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501755 (CHEMBL4077947) Show SMILES C[C@@H](O)[C@H](NC1CCOc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-23-10-13-34-24-16-20(8-9-22(23)24)5-2-19-3-6-21(7-4-19)17-29-11-14-33-15-12-29/h3-4,6-9,16,18,23,25,27,30,32H,10-15,17H2,1H3,(H,28,31)/t18-,23?,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501782 (CHEMBL4087371) Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H24N2O3/c1-15(25)21(22(26)24-27)23-20-9-5-8-18-14-17(12-13-19(18)20)11-10-16-6-3-2-4-7-16/h2-4,6-7,12-15,20-21,23,25,27H,5,8-9H2,1H3,(H,24,26)/t15-,20?,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359789 (CHEMBL1928252) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CC(C)C)nc2c(=O)[nH]1 Show InChI InChI=1S/C25H37N7O5S/c1-6-20-21-22(29-32(20)16-17(3)4)24(33)28-23(27-21)19-14-18(15-26-25(19)37-13-12-36-5)38(34,35)31-10-8-30(7-2)9-11-31/h14-15,17H,6-13,16H2,1-5H3,(H,27,28,33)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501780 (CHEMBL4083988) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H34N4O3/c1-27(2,28)25(26(32)30-33)29-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-31-13-15-34-16-14-31/h4-5,7-9,11,17,24-25,29,33H,10,12-16,18,28H2,1-2H3,(H,30,32)/t24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50246483 (3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2-pro...) Show SMILES CCCOc1ncc(cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C27H34N8O4S/c1-4-15-39-27-21(16-20(17-29-27)40(37,38)34-13-11-33(6-3)12-14-34)25-30-23-22(5-2)35(32-24(23)26(36)31-25)18-19-9-7-8-10-28-19/h7-10,16-17H,4-6,11-15,18H2,1-3H3,(H,30,31,36)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359770 (CHEMBL1928262) Show SMILES CCOc1ncc(cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359780 (CHEMBL1928272) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1 Show InChI InChI=1S/C27H40N8O6S/c1-4-22-23-24(31-35(22)11-8-33-12-14-40-15-13-33)26(36)30-25(29-23)21-18-20(19-28-27(21)41-17-16-39-3)42(37,38)34-9-6-32(5-2)7-10-34/h18-19H,4-17H2,1-3H3,(H,29,30,36)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359787 (CHEMBL1928250) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C(C)C Show InChI InChI=1S/C24H35N7O5S/c1-6-19-20-21(28-31(19)16(3)4)23(32)27-22(26-20)18-14-17(15-25-24(18)36-13-12-35-5)37(33,34)30-10-8-29(7-2)9-11-30/h14-16H,6-13H2,1-5H3,(H,26,27,32)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM50178705 (CHEMBL3814804) Show SMILES CC(C)(C)c1ccc(Cn2c(cc3cnc(Cl)cc23)C(O)=O)cc1 Show InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)14-6-4-12(5-7-14)11-22-15-9-17(20)21-10-13(15)8-16(22)18(23)24/h4-10H,11H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Cubist Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at CCR9 (unknown origin) assessed as inhibition of TECK-stimulated calcium mobilization preincubated for 10 mins followed by agon...				Bioorg Med Chem Lett 26: 3322-3325 (2016) Article DOI: 10.1016/j.bmcl.2016.05.043 BindingDB Entry DOI: 10.7270/Q2PZ5BQX
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359769 (CHEMBL1928261) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1 Show InChI InChI=1S/C24H35N7O6S/c1-5-19-20-21(28-31(19)11-12-35-3)23(32)27-22(26-20)18-15-17(16-25-24(18)37-14-13-36-4)38(33,34)30-9-7-29(6-2)8-10-30/h15-16H,5-14H2,1-4H3,(H,26,27,32)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359791 (CHEMBL1928254) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCOCC1 Show InChI InChI=1S/C26H37N7O6S/c1-4-21-22-23(30-33(21)18-6-12-38-13-7-18)25(34)29-24(28-22)20-16-19(17-27-26(20)39-15-14-37-3)40(35,36)32-10-8-31(5-2)9-11-32/h16-18H,4-15H2,1-3H3,(H,28,29,34)	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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359786 (CHEMBL1928249) Show SMILES CCCn1nc2c(nc([nH]c2=O)-c2cc(cnc2OCCOC)S(=O)(=O)N2CCN(CC)CC2)c1CC Show InChI InChI=1S/C24H35N7O5S/c1-5-8-31-19(6-2)20-21(28-31)23(32)27-22(26-20)18-15-17(16-25-24(18)36-14-13-35-4)37(33,34)30-11-9-29(7-3)10-12-30/h15-16H,5-14H2,1-4H3,(H,26,27,32)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359788 (CHEMBL1928251) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCC1 Show InChI InChI=1S/C25H35N7O5S/c1-4-20-21-22(29-32(20)17-7-6-8-17)24(33)28-23(27-21)19-15-18(16-26-25(19)37-14-13-36-3)38(34,35)31-11-9-30(5-2)10-12-31/h15-17H,4-14H2,1-3H3,(H,27,28,33)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501752 (CHEMBL4095059) Show SMILES C[C@@H](O)[C@H](NC1CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24?,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501770 (CHEMBL4092719) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501756 (CHEMBL4066982) Show SMILES C[C@@H](O)[C@H](NC1CCN(C)c2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H34N4O4/c1-19(32)26(27(33)29-34)28-24-11-12-30(2)25-17-21(9-10-23(24)25)6-3-20-4-7-22(8-5-20)18-31-13-15-35-16-14-31/h4-5,7-10,17,19,24,26,28,32,34H,11-16,18H2,1-2H3,(H,29,33)/t19-,24?,26+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501754 (CHEMBL4071396) Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H33N3O4/c1-19(31)26(27(32)29-33)28-25-4-2-3-23-17-21(11-12-24(23)25)8-5-20-6-9-22(10-7-20)18-30-13-15-34-16-14-30/h6-7,9-12,17,19,25-26,28,31,33H,2-4,13-16,18H2,1H3,(H,29,32)/t19-,25?,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501753 (CHEMBL4098438) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501778 (CHEMBL4098674) Show SMILES C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C21H22N2O4/c1-14(24)20(21(25)23-26)22-19-13-27-12-17-11-16(9-10-18(17)19)8-7-15-5-3-2-4-6-15/h2-6,9-11,14,19-20,22,24,26H,12-13H2,1H3,(H,23,25)/t14-,19?,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501780 (CHEMBL4083988) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H34N4O3/c1-27(2,28)25(26(32)30-33)29-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-31-13-15-34-16-14-31/h4-5,7-9,11,17,24-25,29,33H,10,12-16,18,28H2,1-2H3,(H,30,32)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM50501753 (CHEMBL4098438) Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Escherichia coli)	BDBM50501768 (CHEMBL4102818) Show SMILES C[C@@H](O)[C@H](NC1CCN(C)c2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H25N3O3/c1-15(26)21(22(27)24-28)23-19-12-13-25(2)20-14-17(10-11-18(19)20)9-8-16-6-4-3-5-7-16/h3-7,10-11,14-15,19,21,23,26,28H,12-13H2,1-2H3,(H,24,27)/t15-,19?,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922				Bioorg Med Chem Lett 27: 1670-1680 (2017) Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50359772 (CHEMBL1928264) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc(OCC(C)C)c(c1)-c1nc2c(CC)n(CCCN(C)C)nc2c(=O)[nH]1 Show InChI InChI=1S/C27H42N8O4S/c1-7-22-23-24(31-35(22)11-9-10-32(5)6)26(36)30-25(29-23)21-16-20(17-28-27(21)39-18-19(3)4)40(37,38)34-14-12-33(8-2)13-15-34/h16-17,19H,7-15,18H2,1-6H3,(H,29,30,36)	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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE5 isolated from corpus cavernosum after 30 to 60 mins by scintillation counting method				Bioorg Med Chem 20: 498-509 (2011) Article DOI: 10.1016/j.bmc.2011.10.022 BindingDB Entry DOI: 10.7270/Q2M9094T
					More data for this Ligand-Target Pair

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