Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50032447   

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
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329397 (CHEMBL1269648 | N-(4-Ethylphenyl)-5-methylbenzo[d]...) Show SMILES CCc1ccc(Nc2nc3cc(C)ccc3o2)cc1 Show InChI InChI=1S/C16H16N2O/c1-3-12-5-7-13(8-6-12)17-16-18-14-10-11(2)4-9-15(14)19-16/h4-10H,3H2,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329394 (5-Chloro-N-(4-ethylphenyl)benzo[d]oxazol-2-amine |...) Show SMILES CCc1ccc(Nc2nc3cc(Cl)ccc3o2)cc1 Show InChI InChI=1S/C15H13ClN2O/c1-2-10-3-6-12(7-4-10)17-15-18-13-9-11(16)5-8-14(13)19-15/h3-9H,2H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329392 (CHEMBL1269619 | N-(4-Ethylphenyl)benzo[d]oxazol-2-...) Show SMILES CCc1ccc(Nc2nc3ccccc3o2)cc1 Show InChI InChI=1S/C15H14N2O/c1-2-11-7-9-12(10-8-11)16-15-17-13-5-3-4-6-14(13)18-15/h3-10H,2H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329404 (CHEMBL1269727 | N-(3-Bromophenyl)-5-methoxybenzo[d...) Show SMILES COc1ccc2oc(Nc3cccc(Br)c3)nc2c1 Show InChI InChI=1S/C14H11BrN2O2/c1-18-11-5-6-13-12(8-11)17-14(19-13)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329402 (CHEMBL1269907 | N-(4-Isopropylphenyl)-5-methoxyben...) Show SMILES COc1ccc2oc(Nc3ccc(cc3)C(C)C)nc2c1 Show InChI InChI=1S/C17H18N2O2/c1-11(2)12-4-6-13(7-5-12)18-17-19-15-10-14(20-3)8-9-16(15)21-17/h4-11H,1-3H3,(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329403 (5-Methoxy-N-(4-(methylthio)phenyl)benzo[d]oxazol-2...) Show SMILES COc1ccc2oc(Nc3ccc(SC)cc3)nc2c1 Show InChI InChI=1S/C15H14N2O2S/c1-18-11-5-8-14-13(9-11)17-15(19-14)16-10-3-6-12(20-2)7-4-10/h3-9H,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329393 (5-Chloro-N-phenylbenzo[d]oxazol-2-amine | CHEMBL12...) Show SMILES Clc1ccc2oc(Nc3ccccc3)nc2c1 Show InChI InChI=1S/C13H9ClN2O/c14-9-6-7-12-11(8-9)16-13(17-12)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329396 (5-Methyl-N-phenylbenzo[d]oxazol-2-amine | CHEMBL12...) Show SMILES Cc1ccc2oc(Nc3ccccc3)nc2c1 Show InChI InChI=1S/C14H12N2O/c1-10-7-8-13-12(9-10)16-14(17-13)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329398 (CHEMBL1269649 | N-(2-Ethylphenyl)-5-methylbenzo[d]...) Show SMILES CCc1ccccc1Nc1nc2cc(C)ccc2o1 Show InChI InChI=1S/C16H16N2O/c1-3-12-6-4-5-7-13(12)17-16-18-14-10-11(2)8-9-15(14)19-16/h4-10H,3H2,1-2H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329400 (CHEMBL1269704 | N-(3-Methoxyphenyl)-5-methylbenzo[...) Show SMILES COc1cccc(Nc2nc3cc(C)ccc3o2)c1 Show InChI InChI=1S/C15H14N2O2/c1-10-6-7-14-13(8-10)17-15(19-14)16-11-4-3-5-12(9-11)18-2/h3-9H,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329399 (6-Methyl-N-(4-(methylthio)phenyl)benzo[d]oxazol-2-...) Show SMILES CSc1ccc(Nc2nc3cc(C)ccc3o2)cc1 Show InChI InChI=1S/C15H14N2OS/c1-10-3-8-14-13(9-10)17-15(18-14)16-11-4-6-12(19-2)7-5-11/h3-9H,1-2H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329401 (5-Methoxy-N-phenylbenzo[d]oxazol-2-amine | CHEMBL1...) Show SMILES COc1ccc2oc(Nc3ccccc3)nc2c1 Show InChI InChI=1S/C14H12N2O2/c1-17-11-7-8-13-12(9-11)16-14(18-13)15-10-5-3-2-4-6-10/h2-9H,1H3,(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM49481 (1,3-benzoxazol-2-yl(phenyl)amine | CHEMBL1269508 |...) Show SMILES N(c1nc2ccccc2o1)c1ccccc1 Show InChI InChI=1S/C13H10N2O/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-9H,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Mus musculus)	BDBM50329395 (CHEMBL1269906 | N-(4-Ethylphenyl)-5-nitrobenzo[d]o...) Show SMILES CCc1ccc(Nc2nc3cc(ccc3o2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H13N3O3/c1-2-10-3-5-11(6-4-10)16-15-17-13-9-12(18(19)20)7-8-14(13)21-15/h3-9H,2H2,1H3,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in BALB/c mouse BMMC assessed as LTC4 release after 20 mins by enzyme immunoassay				Bioorg Med Chem 18: 7580-5 (2010) Article DOI: 10.1016/j.bmc.2010.08.047 BindingDB Entry DOI: 10.7270/Q2D79BMC
					More data for this Ligand-Target Pair