Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50028986   

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 Binding affinity at 5-hydroxytryptamine 3 receptor in rat posterior cortex by [3H]-BRL 43694 displacement.				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1/2 (RAT)	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 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	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration of the compound required to inhibit dog plasma renin by 50% using radio-immunoassay was determined				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50280512 (5-[1-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C=C2SC(S)=NC2=O)c1Cl |w:14.14,c:19| Show InChI InChI=1S/C17H12Cl2N2OS2/c1-9-6-7-11(18)15(14(9)19)20-12-5-3-2-4-10(12)8-13-16(22)21-17(23)24-13/h2-8,20H,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against 5-LO(5-lipoxygenase)				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50280511 (5-[1-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C=C3SC(S)=NC3=O)c2c1 |w:19.19,c:24| Show InChI InChI=1S/C21H15ClN2O3S2/c1-11-15(10-18-19(25)23-21(28)29-18)16-9-14(27-2)7-8-17(16)24(11)20(26)12-3-5-13(22)6-4-12/h3-10H,1-2H3,(H,23,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against 5-LO(5-lipoxygenase) in intact RBL-1 cell line assay				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50280514 (5-[1-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C=C2SC(NC#N)=NC2=O)c1Cl |w:14.14,c:21| Show InChI InChI=1S/C18H12Cl2N4OS/c1-10-6-7-12(19)16(15(10)20)23-13-5-3-2-4-11(13)8-14-17(25)24-18(26-14)22-9-21/h2-8,23H,1H3,(H,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against 5-LO(5-lipoxygenase) in intact RBL-1 cell line assay				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50280511 (5-[1-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-i...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(C=C3SC(S)=NC3=O)c2c1 |w:19.19,c:24| Show InChI InChI=1S/C21H15ClN2O3S2/c1-11-15(10-18-19(25)23-21(28)29-18)16-9-14(27-2)7-8-17(16)24(11)20(26)12-3-5-13(22)6-4-12/h3-10H,1-2H3,(H,23,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN)				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50280513 (CHEMBL350341 | {5-[1-[2-(2,6-Dichloro-3-methyl-phe...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2\C=C2/SC(=S)N(CC(O)=O)C2=O)c1Cl Show InChI InChI=1S/C19H14Cl2N2O3S2/c1-10-6-7-12(20)17(16(10)21)22-13-5-3-2-4-11(13)8-14-18(26)23(9-15(24)25)19(27)28-14/h2-8,22H,9H2,1H3,(H,24,25)/b14-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against 5-LO(5-lipoxygenase) in intact RBL-1 cell line assay				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50280512 (5-[1-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C=C2SC(S)=NC2=O)c1Cl |w:14.14,c:19| Show InChI InChI=1S/C17H12Cl2N2OS2/c1-9-6-7-11(18)15(14(9)19)20-12-5-3-2-4-10(12)8-13-16(22)21-17(23)24-13/h2-8,20H,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN)				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (RAT)	BDBM50280514 (5-[1-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl...) Show SMILES Cc1ccc(Cl)c(Nc2ccccc2C=C2SC(NC#N)=NC2=O)c1Cl |w:14.14,c:21| Show InChI InChI=1S/C18H12Cl2N4OS/c1-10-6-7-12(19)16(15(10)20)23-13-5-3-2-4-11(13)8-14-17(25)24-18(26-14)22-9-21/h2-8,23H,1H3,(H,22,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolated guinea pig ileum (GPI)				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					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 for its inhibitory activity against 5-LO(5-lipoxygenase)				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	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 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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against 5-LO(5-lipoxygenase) in intact RBL-1 cell line assay				Bioorg Med Chem Lett 2: 705-708 (1992) Article DOI: 10.1016/S0960-894X(00)80396-0 BindingDB Entry DOI: 10.7270/Q26H4HBV
					More data for this Ligand-Target Pair