Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50000841   

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
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					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	50	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261639 (CHEMBL4076689) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2cccnc2)c(C#N)c2CCCn12 Show InChI InChI=1S/C21H17N5O/c22-12-17-18-9-5-11-26(18)20(21(27)25-16-7-2-1-3-8-16)19(17)24-14-15-6-4-10-23-13-15/h1-4,6-8,10,13-14H,5,9,11H2,(H,25,27)/b24-14+	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261633 (CHEMBL4079032) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3ccc4ccccc4c3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C27H22N4O/c1-18-8-12-22(13-9-18)30-27(32)26-25(23(16-28)24-7-4-14-31(24)26)29-17-19-10-11-20-5-2-3-6-21(20)15-19/h2-3,5-6,8-13,15,17H,4,7,14H2,1H3,(H,30,32)/b29-17+	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261638 (CHEMBL4073779) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3cccs3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C21H18N4OS/c1-14-6-8-15(9-7-14)24-21(26)20-19(23-13-16-4-3-11-27-16)17(12-22)18-5-2-10-25(18)20/h3-4,6-9,11,13H,2,5,10H2,1H3,(H,24,26)/b23-13+	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261640 (CHEMBL4096865) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3cccnc3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C22H19N5O/c1-15-6-8-17(9-7-15)26-22(28)21-20(25-14-16-4-2-10-24-13-16)18(12-23)19-5-3-11-27(19)21/h2,4,6-10,13-14H,3,5,11H2,1H3,(H,26,28)/b25-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261634 (CHEMBL4097045) Show SMILES Clc1ccc(NC(=O)c2c(N=Cc3ccc4ccccc4c3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C26H19ClN4O/c27-20-9-11-21(12-10-20)30-26(32)25-24(22(15-28)23-6-3-13-31(23)25)29-16-17-7-8-18-4-1-2-5-19(18)14-17/h1-2,4-5,7-12,14,16H,3,6,13H2,(H,30,32)/b29-16+	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	170	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261643 (CHEMBL4071061) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3ccco3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C21H18N4O2/c1-14-6-8-15(9-7-14)24-21(26)20-19(23-13-16-4-3-11-27-16)17(12-22)18-5-2-10-25(18)20/h3-4,6-9,11,13H,2,5,10H2,1H3,(H,24,26)/b23-13+	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261644 (CHEMBL4072244) Show SMILES Clc1ccc(NC(=O)c2c(N=Cc3cccs3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C20H15ClN4OS/c21-13-5-7-14(8-6-13)24-20(26)19-18(23-12-15-3-2-10-27-15)16(11-22)17-4-1-9-25(17)19/h2-3,5-8,10,12H,1,4,9H2,(H,24,26)/b23-12+	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	360	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261636 (CHEMBL4065185) Show SMILES Clc1ccc(NC(=O)c2c(N=Cc3ccco3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C20H15ClN4O2/c21-13-5-7-14(8-6-13)24-20(26)19-18(23-12-15-3-2-10-27-15)16(11-22)17-4-1-9-25(17)19/h2-3,5-8,10,12H,1,4,9H2,(H,24,26)/b23-12+	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					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	490	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261642 (CHEMBL4073566) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2ccc3ccccc3c2)c(C#N)c2CCCn12 Show InChI InChI=1S/C26H20N4O/c27-16-22-23-11-6-14-30(23)25(26(31)29-21-9-2-1-3-10-21)24(22)28-17-18-12-13-19-7-4-5-8-20(19)15-18/h1-5,7-10,12-13,15,17H,6,11,14H2,(H,29,31)/b28-17+	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	520	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261637 (CHEMBL4092847) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2cccs2)c(C#N)c2CCCn12 Show InChI InChI=1S/C20H16N4OS/c21-12-16-17-9-4-10-24(17)19(18(16)22-13-15-8-5-11-26-15)20(25)23-14-6-2-1-3-7-14/h1-3,5-8,11,13H,4,9-10H2,(H,23,25)/b22-13+	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	560	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261641 (CHEMBL4074351) Show SMILES Clc1ccc(NC(=O)c2c(N=Cc3cccnc3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C21H16ClN5O/c22-15-5-7-16(8-6-15)26-21(28)20-19(25-13-14-3-1-9-24-12-14)17(11-23)18-4-2-10-27(18)20/h1,3,5-9,12-13H,2,4,10H2,(H,26,28)/b25-13+	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	680	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50261635 (CHEMBL4091890) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2ccco2)c(C#N)c2CCCn12 Show InChI InChI=1S/C20H16N4O2/c21-12-16-17-9-4-10-24(17)19(18(16)22-13-15-8-5-11-26-15)20(25)23-14-6-2-1-3-7-14/h1-3,5-8,11,13H,4,9-10H2,(H,23,25)/b22-13+	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	780	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261637 (CHEMBL4092847) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2cccs2)c(C#N)c2CCCn12 Show InChI InChI=1S/C20H16N4OS/c21-12-16-17-9-4-10-24(17)19(18(16)22-13-15-8-5-11-26-15)20(25)23-14-6-2-1-3-7-14/h1-3,5-8,11,13H,4,9-10H2,(H,23,25)/b22-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261641 (CHEMBL4074351) Show SMILES Clc1ccc(NC(=O)c2c(N=Cc3cccnc3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C21H16ClN5O/c22-15-5-7-16(8-6-15)26-21(28)20-19(25-13-14-3-1-9-24-12-14)17(11-23)18-4-2-10-27(18)20/h1,3,5-9,12-13H,2,4,10H2,(H,26,28)/b25-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261635 (CHEMBL4091890) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2ccco2)c(C#N)c2CCCn12 Show InChI InChI=1S/C20H16N4O2/c21-12-16-17-9-4-10-24(17)19(18(16)22-13-15-8-5-11-26-15)20(25)23-14-6-2-1-3-7-14/h1-3,5-8,11,13H,4,9-10H2,(H,23,25)/b22-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261644 (CHEMBL4072244) Show SMILES Clc1ccc(NC(=O)c2c(N=Cc3cccs3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C20H15ClN4OS/c21-13-5-7-14(8-6-13)24-20(26)19-18(23-12-15-3-2-10-27-15)16(11-22)17-4-1-9-25(17)19/h2-3,5-8,10,12H,1,4,9H2,(H,24,26)/b23-12+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261642 (CHEMBL4073566) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2ccc3ccccc3c2)c(C#N)c2CCCn12 Show InChI InChI=1S/C26H20N4O/c27-16-22-23-11-6-14-30(23)25(26(31)29-21-9-2-1-3-10-21)24(22)28-17-18-12-13-19-7-4-5-8-20(19)15-18/h1-5,7-10,12-13,15,17H,6,11,14H2,(H,29,31)/b28-17+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261636 (CHEMBL4065185) Show SMILES Clc1ccc(NC(=O)c2c(N=Cc3ccco3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C20H15ClN4O2/c21-13-5-7-14(8-6-13)24-20(26)19-18(23-12-15-3-2-10-27-15)16(11-22)17-4-1-9-25(17)19/h2-3,5-8,10,12H,1,4,9H2,(H,24,26)/b23-12+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261643 (CHEMBL4071061) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3ccco3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C21H18N4O2/c1-14-6-8-15(9-7-14)24-21(26)20-19(23-13-16-4-3-11-27-16)17(12-22)18-5-2-10-25(18)20/h3-4,6-9,11,13H,2,5,10H2,1H3,(H,24,26)/b23-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261640 (CHEMBL4096865) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3cccnc3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C22H19N5O/c1-15-6-8-17(9-7-15)26-22(28)21-20(25-14-16-4-2-10-24-13-16)18(12-23)19-5-3-11-27(19)21/h2,4,6-10,13-14H,3,5,11H2,1H3,(H,26,28)/b25-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261638 (CHEMBL4073779) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3cccs3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C21H18N4OS/c1-14-6-8-15(9-7-14)24-21(26)20-19(23-13-16-4-3-11-27-16)17(12-22)18-5-2-10-25(18)20/h3-4,6-9,11,13H,2,5,10H2,1H3,(H,24,26)/b23-13+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261634 (CHEMBL4097045) Show SMILES Clc1ccc(NC(=O)c2c(N=Cc3ccc4ccccc4c3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C26H19ClN4O/c27-20-9-11-21(12-10-20)30-26(32)25-24(22(15-28)23-6-3-13-31(23)25)29-16-17-7-8-18-4-1-2-5-19(18)14-17/h1-2,4-5,7-12,14,16H,3,6,13H2,(H,30,32)/b29-16+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261639 (CHEMBL4076689) Show SMILES O=C(Nc1ccccc1)c1c(N=Cc2cccnc2)c(C#N)c2CCCn12 Show InChI InChI=1S/C21H17N5O/c22-12-17-18-9-5-11-26(18)20(21(27)25-16-7-2-1-3-8-16)19(17)24-14-15-6-4-10-23-13-15/h1-4,6-8,10,13-14H,5,9,11H2,(H,25,27)/b24-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50261633 (CHEMBL4079032) Show SMILES Cc1ccc(NC(=O)c2c(N=Cc3ccc4ccccc4c3)c(C#N)c3CCCn23)cc1 Show InChI InChI=1S/C27H22N4O/c1-18-8-12-22(13-9-18)30-27(32)26-25(23(16-28)24-7-4-14-31(24)26)29-17-19-10-11-20-5-2-3-6-21(20)15-19/h2-3,5-6,8-13,15,17H,4,7,14H2,1H3,(H,30,32)/b29-17+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia; Department of Medicinal Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Sue Curated by ChEMBL					Assay Description Inhibition of ovine COX1 assessed as reduction in PGH2 formation by measuring PGF2alpha by colorimetric assay				Bioorg Med Chem 25: 5637-5651 (2017) Article DOI: 10.1016/j.bmc.2017.08.039 BindingDB Entry DOI: 10.7270/Q2JQ13GQ
					More data for this Ligand-Target Pair