Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50028904   

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 1/2 (RAT)	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in an intact RBL-1 cell line for inhibition of 5-Cyclooxygenase				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50280051 (5-[2-(3-Trifluoromethyl-phenylamino)-pyridin-3-yl]...) Show SMILES FC(F)(F)c1cccc(Nc2ncccc2-c2nnc(S)o2)c1 Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-3-1-4-9(7-8)19-11-10(5-2-6-18-11)12-20-21-13(23)22-12/h1-7H,(H,18,19)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Cyclooxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50048004 (5-(2-(3-(trifluoromethyl)phenylamino)phenyl)-1,3,4...) Show SMILES FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(S)o2)c1 Show InChI InChI=1S/C15H10F3N3OS/c16-15(17,18)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13-20-21-14(23)22-13/h1-8,19H,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Cyclooxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50048003 (5-[2-(2,3-Dimethyl-phenylamino)-phenyl]-3H-[1,3,4]...) Show SMILES Cc1cccc(Nc2ccccc2-c2nnc(S)o2)c1C Show InChI InChI=1S/C16H15N3OS/c1-10-6-5-9-13(11(10)2)17-14-8-4-3-7-12(14)15-18-19-16(21)20-15/h3-9,17H,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Cyclooxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50048007 (5-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl]-3...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)o2)c1Cl Show InChI InChI=1S/C15H11Cl2N3OS/c1-8-6-7-10(16)13(12(8)17)18-11-5-3-2-4-9(11)14-19-20-15(22)21-14/h2-7,18H,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of contractile effects of Tachykinin receptor 1 in guinea pig ileum preparation.				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048007 (5-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl]-3...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)o2)c1Cl Show InChI InChI=1S/C15H11Cl2N3OS/c1-8-6-7-10(16)13(12(8)17)18-11-5-3-2-4-9(11)14-19-20-15(22)21-14/h2-7,18H,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against 5-lipoxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048004 (5-(2-(3-(trifluoromethyl)phenylamino)phenyl)-1,3,4...) Show SMILES FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(S)o2)c1 Show InChI InChI=1S/C15H10F3N3OS/c16-15(17,18)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13-20-21-14(23)22-13/h1-8,19H,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against 5-lipoxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50047998 (5-(2-(3-(trifluoromethyl)phenylamino)phenyl)-1,3,4...) Show SMILES FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(S)s2)c1 Show InChI InChI=1S/C15H10F3N3S2/c16-15(17,18)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13-20-21-14(22)23-13/h1-8,19H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Cyclooxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50047998 (5-(2-(3-(trifluoromethyl)phenylamino)phenyl)-1,3,4...) Show SMILES FC(F)(F)c1cccc(Nc2ccccc2-c2nnc(S)s2)c1 Show InChI InChI=1S/C15H10F3N3S2/c16-15(17,18)9-4-3-5-10(8-9)19-12-7-2-1-6-11(12)13-20-21-14(22)23-13/h1-8,19H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against 5-lipoxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50280051 (5-[2-(3-Trifluoromethyl-phenylamino)-pyridin-3-yl]...) Show SMILES FC(F)(F)c1cccc(Nc2ncccc2-c2nnc(S)o2)c1 Show InChI InChI=1S/C14H9F3N4OS/c15-14(16,17)8-3-1-4-9(7-8)19-11-10(5-2-6-18-11)12-20-21-13(23)22-12/h1-7H,(H,18,19)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against 5-lipoxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048003 (5-[2-(2,3-Dimethyl-phenylamino)-phenyl]-3H-[1,3,4]...) Show SMILES Cc1cccc(Nc2ccccc2-c2nnc(S)o2)c1C Show InChI InChI=1S/C16H15N3OS/c1-10-6-5-9-13(11(10)2)17-14-8-4-3-7-12(14)15-18-19-16(21)20-15/h3-9,17H,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against 5-lipoxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50048009 (5-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl]-3...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)s2)c1Cl Show InChI InChI=1S/C15H11Cl2N3S2/c1-8-6-7-10(16)13(12(8)17)18-11-5-3-2-4-9(11)14-19-20-15(21)22-14/h2-7,18H,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against 5-lipoxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50048009 (5-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl]-3...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)s2)c1Cl Show InChI InChI=1S/C15H11Cl2N3S2/c1-8-6-7-10(16)13(12(8)17)18-11-5-3-2-4-9(11)14-19-20-15(21)22-14/h2-7,18H,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Cyclooxygenase was determined				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM22971 (2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated in an intact RBL-1 cell line for inhibition of 5-lipoxygenase				Bioorg Med Chem Lett 2: 69-72 (1992) Article DOI: 10.1016/S0960-894X(00)80657-5 BindingDB Entry DOI: 10.7270/Q29K4B4Q
					More data for this Ligand-Target Pair