Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'kaskhedikar' and Initial = 'sg'   

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 2 (Homo sapiens (Human))	BDBM50272095 (4-(3-(4-methoxyphenyl)-1H-indol-2-yl)benzenesulfon...) Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H18N2O3S/c1-26-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)23-21(20)15-8-12-17(13-9-15)27(22,24)25/h2-13,23H,1H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272096 (3-(4-methoxyphenyl)-2-(4-(methylsulfonyl)phenyl)-1...) Show SMILES COc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO3S/c1-26-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(14-10-16)27(2,24)25/h3-14,23H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272131 (3-(4-fluorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(F)cc1 Show InChI InChI=1S/C21H16FNO2S/c1-26(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)23-21/h2-13,23H,1H3	PDB MMDB NCI pathway 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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272129 (4-(5-methyl-3-phenyl-1H-indol-2-yl)benzenesulfonam...) Show SMILES Cc1ccc2[nH]c(c(-c3ccccc3)c2c1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H18N2O2S/c1-14-7-12-19-18(13-14)20(15-5-3-2-4-6-15)21(23-19)16-8-10-17(11-9-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272125 (4-(3-p-tolyl-1H-indol-2-yl)benzenesulfonamide | CH...) Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H18N2O2S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23-21(20)16-10-12-17(13-11-16)26(22,24)25/h2-13,23H,1H3,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272105 (4-(3-phenyl-1H-indol-2-yl)benzenesulfonamide | CHE...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C20H16N2O2S/c21-25(23,24)16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)17-8-4-5-9-18(17)22-20/h1-13,22H,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272126 (2-(4-(methylsulfonyl)phenyl)-3-p-tolyl-1H-indole |...) Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO2S/c1-15-7-9-16(10-8-15)21-19-5-3-4-6-20(19)23-22(21)17-11-13-18(14-12-17)26(2,24)25/h3-14,23H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272110 (4-(5-chloro-3-phenyl-1H-indol-2-yl)benzenesulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 Show InChI InChI=1S/C20H15ClN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272097 (3-(3,4-dimethylphenyl)-2-(4-(methylsulfonyl)phenyl...) Show SMILES Cc1ccc(cc1C)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H21NO2S/c1-15-8-9-18(14-16(15)2)22-20-6-4-5-7-21(20)24-23(22)17-10-12-19(13-11-17)27(3,25)26/h4-14,24H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272128 (CHEMBL500943 | N-(4-(3-phenyl-1H-indol-2-yl)phenyl...) Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C22H18N2O3S/c1-15(25)24-28(26,27)18-13-11-17(12-14-18)22-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)23-22/h2-14,23H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272130 (5-methyl-2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-...) Show SMILES Cc1ccc2[nH]c(c(-c3ccccc3)c2c1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H19NO2S/c1-15-8-13-20-19(14-15)21(16-6-4-3-5-7-16)22(23-20)17-9-11-18(12-10-17)26(2,24)25/h3-14,23H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272111 (5-chloro-2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 Show InChI InChI=1S/C21H16ClNO2S/c1-26(24,25)17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)18-13-16(22)9-12-19(18)23-21/h2-13,23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272124 (3-(4-bromophenyl)-2-(4-(methylsulfonyl)phenyl)-1H-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(Br)cc1 Show InChI InChI=1S/C21H16BrNO2S/c1-26(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)23-21/h2-13,23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					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	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272090 (4-(5-chloro-3-(4-chlorophenyl)-1H-indol-2-yl)benze...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Cl)cc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H14Cl2N2O2S/c21-14-5-1-12(2-6-14)19-17-11-15(22)7-10-18(17)24-20(19)13-3-8-16(9-4-13)27(23,25)26/h1-11,24H,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272106 (2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-indole | ...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1 Show InChI InChI=1S/C21H17NO2S/c1-25(23,24)17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)22-21/h2-14,22H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272092 (5-chloro-3-(3-chlorophenyl)-2-(4-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Cl)cc2c1-c1cccc(Cl)c1 Show InChI InChI=1S/C21H15Cl2NO2S/c1-27(25,26)17-8-5-13(6-9-17)21-20(14-3-2-4-15(22)11-14)18-12-16(23)7-10-19(18)24-21/h2-12,24H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272113 (5-bromo-2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-i...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Br)cc2c1-c1ccccc1 Show InChI InChI=1S/C21H16BrNO2S/c1-26(24,25)17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)18-13-16(22)9-12-19(18)23-21/h2-13,23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272127 (4-(3-(3,4-dimethylphenyl)-1H-indol-2-yl)benzenesul...) Show SMILES Cc1ccc(cc1C)-c1c([nH]c2ccccc12)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H20N2O2S/c1-14-7-8-17(13-15(14)2)21-19-5-3-4-6-20(19)24-22(21)16-9-11-18(12-10-16)27(23,25)26/h3-13,24H,1-2H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272109 (4-(5-fluoro-3-phenyl-1H-indol-2-yl)benzenesulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(F)cc2c1-c1ccccc1 Show InChI InChI=1S/C20H15FN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25)	PDB MMDB NCI pathway 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	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272114 (4-(5-chloro-3-(3-chlorophenyl)-1H-indol-2-yl)benze...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Cl)cc2c1-c1cccc(Cl)c1 Show InChI InChI=1S/C20H14Cl2N2O2S/c21-14-3-1-2-13(10-14)19-17-11-15(22)6-9-18(17)24-20(19)12-4-7-16(8-5-12)27(23,25)26/h1-11,24H,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.13	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM50412347 (CHEMBL499343) Show SMILES OC(=O)c1ccccc1NC(=O)c1cc(O)c(c(Oc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C26H19NO5/c28-22-15-18(25(29)27-21-14-8-7-13-20(21)26(30)31)16-23(32-19-11-5-2-6-12-19)24(22)17-9-3-1-4-10-17/h1-16,28H,(H,27,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272112 (4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonami...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Br)cc2c1-c1ccccc1 Show InChI InChI=1S/C20H15BrN2O2S/c21-15-8-11-18-17(12-15)19(13-4-2-1-3-5-13)20(23-18)14-6-9-16(10-7-14)26(22,24)25/h1-12,23H,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272115 (5-fluoro-2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(F)cc2c1-c1ccccc1 Show InChI InChI=1S/C21H16FNO2S/c1-26(24,25)17-10-7-15(8-11-17)21-20(14-5-3-2-4-6-14)18-13-16(22)9-12-19(18)23-21/h2-13,23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272107 (4-(3-(4-fluorophenyl)-1H-indol-2-yl)benzenesulfona...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(F)cc1 Show InChI InChI=1S/C20H15FN2O2S/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)23-20(19)14-7-11-16(12-8-14)26(22,24)25/h1-12,23H,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.15	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272098 (4-(3-(4-hydroxyphenyl)-1H-indol-2-yl)benzenesulfon...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(O)cc1 Show InChI InChI=1S/C20H16N2O3S/c21-26(24,25)16-11-7-14(8-12-16)20-19(13-5-9-15(23)10-6-13)17-3-1-2-4-18(17)22-20/h1-12,22-23H,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.44	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272133 (4-(3-(4-bromophenyl)-1H-indol-2-yl)benzenesulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(Br)cc1 Show InChI InChI=1S/C20H15BrN2O2S/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)23-20(19)14-7-11-16(12-8-14)26(22,24)25/h1-12,23H,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.36	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272094 (5-chloro-3-(2-chlorophenyl)-2-(4-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl |(18.72,-39.64,;17.18,-39.64,;17.18,-38.1,;17.19,-41.18,;15.64,-39.64,;14.87,-40.97,;13.33,-40.97,;12.57,-39.64,;13.33,-38.31,;14.86,-38.3,;11.03,-39.64,;10.12,-40.9,;8.64,-40.42,;7.31,-41.19,;5.98,-40.42,;5.98,-38.87,;4.88,-37.77,;7.31,-38.1,;8.64,-38.87,;10.12,-38.39,;10.9,-37.06,;12.44,-37.09,;13.23,-35.77,;12.48,-34.42,;10.93,-34.41,;10.15,-35.73,;8.61,-35.72,)| Show InChI InChI=1S/C21H15Cl2NO2S/c1-27(25,26)15-9-6-13(7-10-15)21-20(16-4-2-3-5-18(16)23)17-12-14(22)8-11-19(17)24-21/h2-12,24H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23585 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24i | ...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H21NO6S/c1-35(32,33)21-14-11-18(12-15-21)22-16-13-19(17-25(22)34-20-7-3-2-4-8-20)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.1	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272108 (4-(3-(4-chlorophenyl)-1H-indol-2-yl)benzenesulfona...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H15ClN2O2S/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)23-20(19)14-7-11-16(12-8-14)26(22,24)25/h1-12,23H,(H2,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23584 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24c | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C26H19NO4/c28-25(27-23-14-8-7-13-22(23)26(29)30)19-15-16-21(18-9-3-1-4-10-18)24(17-19)31-20-11-5-2-6-12-20/h1-17H,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56.0	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM50412351 (CHEMBL499342) Show SMILES OC(=O)c1ccccc1NC(=O)c1cc(O)c(Br)c(Oc2ccccc2)c1 Show InChI InChI=1S/C20H14BrNO5/c21-18-16(23)10-12(11-17(18)27-13-6-2-1-3-7-13)19(24)22-15-9-5-4-8-14(15)20(25)26/h1-11,23H,(H,22,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62.1	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272091 (5-chloro-3-(4-chlorophenyl)-2-(4-(methylsulfonyl)p...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Cl)cc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15Cl2NO2S/c1-27(25,26)17-9-4-14(5-10-17)21-20(13-2-6-15(22)7-3-13)18-12-16(23)8-11-19(18)24-21/h2-12,24H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85.1	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23595 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24d | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H18F3NO4/c28-27(29,30)19-13-10-17(11-14-19)21-15-12-18(16-24(21)35-20-6-2-1-3-7-20)25(32)31-23-9-5-4-8-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95.9	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272093 (4-(5-chloro-3-(2-chlorophenyl)-1H-indol-2-yl)benze...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccc(Cl)cc2c1-c1ccccc1Cl |(3.29,-39.95,;1.75,-39.95,;1.75,-38.41,;1.76,-41.49,;.21,-39.95,;-.56,-41.29,;-2.1,-41.29,;-2.86,-39.95,;-2.1,-38.62,;-.57,-38.61,;-4.4,-39.95,;-5.31,-41.21,;-6.79,-40.73,;-8.12,-41.5,;-9.45,-40.73,;-9.45,-39.18,;-10.8,-38.41,;-8.12,-38.41,;-6.79,-39.18,;-5.31,-38.7,;-4.53,-37.38,;-2.99,-37.4,;-2.2,-36.08,;-2.95,-34.73,;-4.5,-34.72,;-5.28,-36.04,;-6.82,-36.03,)| Show InChI InChI=1S/C20H14Cl2N2O2S/c21-13-7-10-18-16(11-13)19(15-3-1-2-4-17(15)22)20(24-18)12-5-8-14(9-6-12)27(23,25)26/h1-11,24H,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23594 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24b | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccnc1 Show InChI InChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50272132 (3-(4-chlorophenyl)-2-(4-(methylsulfonyl)phenyl)-1H...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClNO2S/c1-26(24,25)17-12-8-15(9-13-17)21-20(14-6-10-16(22)11-7-14)18-4-2-3-5-19(18)23-21/h2-13,23H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 43: 1297-303 (2008) Article DOI: 10.1016/j.ejmech.2007.06.022 BindingDB Entry DOI: 10.7270/Q2CC10F1
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23596 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24e | ...) Show SMILES Cc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H21NO4/c1-18-11-13-19(14-12-18)22-16-15-20(17-25(22)32-21-7-3-2-4-8-21)26(29)28-24-10-6-5-9-23(24)27(30)31/h2-17H,1H3,(H,28,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23606 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24p | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)cc1F Show InChI InChI=1S/C26H17F2NO4/c27-17-11-13-19(22(28)15-17)20-12-10-16(14-24(20)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-21(23)26(31)32/h1-15H,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23599 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24h | ...) Show SMILES CCOc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C28H23NO5/c1-2-33-21-15-12-19(13-16-21)23-17-14-20(18-26(23)34-22-8-4-3-5-9-22)27(30)29-25-11-7-6-10-24(25)28(31)32/h3-18H,2H2,1H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23602 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24l | ...) Show SMILES Cc1cc(ccc1F)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H20FNO4/c1-17-15-18(12-14-23(17)28)21-13-11-19(16-25(21)33-20-7-3-2-4-8-20)26(30)29-24-10-6-5-9-22(24)27(31)32/h2-16H,1H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23605 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24o | ...) Show SMILES Cc1cc(ccc1Cl)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H20ClNO4/c1-17-15-18(12-14-23(17)28)21-13-11-19(16-25(21)33-20-7-3-2-4-8-20)26(30)29-24-10-6-5-9-22(24)27(31)32/h2-16H,1H3,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23592 ((3-Phenoxybenzoylamino)benzoic acid deriv., 23i | ...) Show SMILES CC1CC(C)CN(C1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23591 ((3-Phenoxybenzoylamino)benzoic acid deriv., 23h | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1 Show InChI InChI=1S/C25H24N2O4/c28-24(26-21-12-6-5-11-20(21)25(29)30)18-13-14-22(27-15-7-2-8-16-27)23(17-18)31-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23604 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24n | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C26H17F2NO4/c27-21-13-11-16(14-22(21)28)19-12-10-17(15-24(19)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-20(23)26(31)32/h1-15H,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM50412350 (CHEMBL500928) Show SMILES OC(=O)c1ccccc1NC(=O)c1cc(O)cc(Oc2ccccc2)c1 Show InChI InChI=1S/C20H15NO5/c22-14-10-13(11-16(12-14)26-15-6-2-1-3-7-15)19(23)21-18-9-5-4-8-17(18)20(24)25/h1-12,22H,(H,21,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23598 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24g | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(O)cc1 Show InChI InChI=1S/C26H19NO5/c28-19-13-10-17(11-14-19)21-15-12-18(16-24(21)32-20-6-2-1-3-7-20)25(29)27-23-9-5-4-8-22(23)26(30)31/h1-16,28H,(H,27,29)(H,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23601 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24k | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C27H18F3NO5/c28-27(29,30)36-20-10-6-7-17(15-20)21-14-13-18(16-24(21)35-19-8-2-1-3-9-19)25(32)31-23-12-5-4-11-22(23)26(33)34/h1-16H,(H,31,32)(H,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23603 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24m | ...) Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C26H17ClFNO4/c27-21-14-16(11-13-22(21)28)19-12-10-17(15-24(19)33-18-6-2-1-3-7-18)25(30)29-23-9-5-4-8-20(23)26(31)32/h1-15H,(H,29,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Enterococcus faecalis)	BDBM23600 ((3-Phenoxybenzoylamino)benzoic acid deriv., 24j | ...) Show SMILES CC(C)c1cccc(c1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C29H25NO4/c1-19(2)20-9-8-10-21(17-20)24-16-15-22(18-27(24)34-23-11-4-3-5-12-23)28(31)30-26-14-7-6-13-25(26)29(32)33/h3-19H,1-2H3,(H,30,31)(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	791	n/a	n/a	n/a	n/a	n/a	n/a
Shri G.S. Institute of Technology and Science Curated by ChEMBL					Assay Description Inhibition of Enterococcus faecalis FabH by FabD/FabH coupled assay				Eur J Med Chem 43: 1071-80 (2008) Article DOI: 10.1016/j.ejmech.2007.06.018 BindingDB Entry DOI: 10.7270/Q2GQ700V
					More data for this Ligand-Target Pair

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