Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'gomez' and Initial = 'rc'   

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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50273389 (2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidi...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL 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
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARalpha ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443842 (CHEMBL3094426) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C22H24BrClN4O2S2/c1-3-4-5-6-7-16(20(29)30)32-21-25-17(24)12-18(26-21)27-22-28-19(13(2)31-22)14-8-10-15(23)11-9-14/h8-12,16H,3-7H2,1-2H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443839 (CHEMBL3094410) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc-3c(CCc4cc(OC)ccc-34)s2)n1)C(O)=O Show InChI InChI=1S/C24H27ClN4O3S2/c1-3-4-5-6-7-18(22(30)31)34-23-26-19(25)13-20(27-23)28-24-29-21-16-10-9-15(32-2)12-14(16)8-11-17(21)33-24/h9-10,12-13,18H,3-8,11H2,1-2H3,(H,30,31)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443828 (CHEMBL3094412) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443831 (CHEMBL3091499) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(C)cc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-6-7-17(20(28)29)31-22-25-18(23)12-19(27-22)26-21-24-16(13-30-21)15-10-8-14(2)9-11-15/h8-13,17H,3-7H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443828 (CHEMBL3094412) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443822 (CHEMBL3094418) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3CCCCc3c2)n1)C(O)=O Show InChI InChI=1S/C25H29ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h11-15,20H,2-10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443828 (CHEMBL3094412) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443822 (CHEMBL3094418) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3CCCCc3c2)n1)C(O)=O Show InChI InChI=1S/C25H29ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h11-15,20H,2-10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443832 (CHEMBL3091498) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S2/c1-2-3-4-8-11-16(19(27)28)30-21-24-17(22)12-18(26-21)25-20-23-15(13-29-20)14-9-6-5-7-10-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,27,28)(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443831 (CHEMBL3091499) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(C)cc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-6-7-17(20(28)29)31-22-25-18(23)12-19(27-22)26-21-24-16(13-30-21)15-10-8-14(2)9-11-15/h8-13,17H,3-7H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443838 (CHEMBL3094431) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22Cl2N4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443838 (CHEMBL3094431) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22Cl2N4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443832 (CHEMBL3091498) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S2/c1-2-3-4-8-11-16(19(27)28)30-21-24-17(22)12-18(26-21)25-20-23-15(13-29-20)14-9-6-5-7-10-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,27,28)(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443837 (CHEMBL3094432) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C19H18Cl2N4O2S2/c1-2-3-4-14(17(26)27)29-19-23-15(21)9-16(25-19)24-18-22-13(10-28-18)11-5-7-12(20)8-6-11/h5-10,14H,2-4H2,1H3,(H,26,27)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443838 (CHEMBL3094431) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22Cl2N4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24560 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARalpha ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443837 (CHEMBL3094432) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C19H18Cl2N4O2S2/c1-2-3-4-14(17(26)27)29-19-23-15(21)9-16(25-19)24-18-22-13(10-28-18)11-5-7-12(20)8-6-11/h5-10,14H,2-4H2,1H3,(H,26,27)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443842 (CHEMBL3094426) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C22H24BrClN4O2S2/c1-3-4-5-6-7-16(20(29)30)32-21-25-17(24)12-18(26-21)27-22-28-19(13(2)31-22)14-8-10-15(23)11-9-14/h8-12,16H,3-7H2,1-2H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443836 (CHEMBL3094433) Show SMILES CCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C17H14Cl2N4O2S2/c1-2-12(15(24)25)27-17-21-13(19)7-14(23-17)22-16-20-11(8-26-16)9-3-5-10(18)6-4-9/h3-8,12H,2H2,1H3,(H,24,25)(H,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443823 (CHEMBL3094417) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)n1)C(O)=O Show InChI InChI=1S/C21H22ClN5O4S2/c1-2-3-4-5-6-16(19(28)29)33-21-24-17(22)11-18(26-21)25-20-23-15(12-32-20)13-7-9-14(10-8-13)27(30)31/h7-12,16H,2-6H2,1H3,(H,28,29)(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443825 (CHEMBL3094415) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(F)c(F)c2)n1)C(O)=O Show InChI InChI=1S/C21H21ClF2N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(22)10-18(28-21)27-20-25-15(11-31-20)12-7-8-13(23)14(24)9-12/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443824 (CHEMBL3094416) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(F)cc2F)n1)C(O)=O Show InChI InChI=1S/C21H21ClF2N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(22)10-18(28-21)27-20-25-15(11-31-20)13-8-7-12(23)9-14(13)24/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50273389 (2-(4-Chloro-6-(4'-cyanobiphenyl-4-ylamino)pyrimidi...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccc(cc2)C#N)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S/c1-2-3-4-5-6-21(24(31)32)33-25-29-22(26)15-23(30-25)28-20-13-11-19(12-14-20)18-9-7-17(16-27)8-10-18/h7-15,21H,2-6H2,1H3,(H,31,32)(H,28,29,30)	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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443842 (CHEMBL3094426) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C22H24BrClN4O2S2/c1-3-4-5-6-7-16(20(29)30)32-21-25-17(24)12-18(26-21)27-22-28-19(13(2)31-22)14-8-10-15(23)11-9-14/h8-12,16H,3-7H2,1-2H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443825 (CHEMBL3094415) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(F)c(F)c2)n1)C(O)=O Show InChI InChI=1S/C21H21ClF2N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(22)10-18(28-21)27-20-25-15(11-31-20)12-7-8-13(23)14(24)9-12/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443824 (CHEMBL3094416) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(F)cc2F)n1)C(O)=O Show InChI InChI=1S/C21H21ClF2N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(22)10-18(28-21)27-20-25-15(11-31-20)13-8-7-12(23)9-14(13)24/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443823 (CHEMBL3094417) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)n1)C(O)=O Show InChI InChI=1S/C21H22ClN5O4S2/c1-2-3-4-5-6-16(19(28)29)33-21-24-17(22)11-18(26-21)25-20-23-15(12-32-20)13-7-9-14(10-8-13)27(30)31/h7-12,16H,2-6H2,1H3,(H,28,29)(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443839 (CHEMBL3094410) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc-3c(CCc4cc(OC)ccc-34)s2)n1)C(O)=O Show InChI InChI=1S/C24H27ClN4O3S2/c1-3-4-5-6-7-18(22(30)31)34-23-26-19(25)13-20(27-23)28-24-29-21-16-10-9-15(32-2)12-14(16)8-11-17(21)33-24/h9-10,12-13,18H,3-8,11H2,1-2H3,(H,30,31)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443839 (CHEMBL3094410) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc-3c(CCc4cc(OC)ccc-34)s2)n1)C(O)=O Show InChI InChI=1S/C24H27ClN4O3S2/c1-3-4-5-6-7-18(22(30)31)34-23-26-19(25)13-20(27-23)28-24-29-21-16-10-9-15(32-2)12-14(16)8-11-17(21)33-24/h9-10,12-13,18H,3-8,11H2,1-2H3,(H,30,31)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443832 (CHEMBL3091498) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S2/c1-2-3-4-8-11-16(19(27)28)30-21-24-17(22)12-18(26-21)25-20-23-15(13-29-20)14-9-6-5-7-10-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,27,28)(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM24564 (2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARalpha ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443834 (CHEMBL3091496) Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H10Cl2N4O2S2/c16-9-3-1-8(2-4-9)10-6-24-14(18-10)20-12-5-11(17)19-15(21-12)25-7-13(22)23/h1-6H,7H2,(H,22,23)(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443822 (CHEMBL3094418) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3CCCCc3c2)n1)C(O)=O Show InChI InChI=1S/C25H29ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h11-15,20H,2-10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443825 (CHEMBL3094415) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(F)c(F)c2)n1)C(O)=O Show InChI InChI=1S/C21H21ClF2N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(22)10-18(28-21)27-20-25-15(11-31-20)12-7-8-13(23)14(24)9-12/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443824 (CHEMBL3094416) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(F)cc2F)n1)C(O)=O Show InChI InChI=1S/C21H21ClF2N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(22)10-18(28-21)27-20-25-15(11-31-20)13-8-7-12(23)9-14(13)24/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443831 (CHEMBL3091499) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(C)cc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-6-7-17(20(28)29)31-22-25-18(23)12-19(27-22)26-21-24-16(13-30-21)15-10-8-14(2)9-11-15/h8-13,17H,3-7H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24564 (2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)	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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM24560 (2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443836 (CHEMBL3094433) Show SMILES CCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C17H14Cl2N4O2S2/c1-2-12(15(24)25)27-17-21-13(19)7-14(23-17)22-16-20-11(8-26-16)9-3-5-10(18)6-4-9/h3-8,12H,2H2,1H3,(H,24,25)(H,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50273682 (2-(4,6-Diphenethoxypyrimidin-2-ylthio)acetic acid ...) Show SMILES OC(=O)CSc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1 Show InChI InChI=1S/C22H22N2O4S/c25-21(26)16-29-22-23-19(27-13-11-17-7-3-1-4-8-17)15-20(24-22)28-14-12-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2,(H,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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443837 (CHEMBL3094432) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C19H18Cl2N4O2S2/c1-2-3-4-14(17(26)27)29-19-23-15(21)9-16(25-19)24-18-22-13(10-28-18)11-5-7-12(20)8-6-11/h5-10,14H,2-4H2,1H3,(H,26,27)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443823 (CHEMBL3094417) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)n1)C(O)=O Show InChI InChI=1S/C21H22ClN5O4S2/c1-2-3-4-5-6-16(19(28)29)33-21-24-17(22)11-18(26-21)25-20-23-15(12-32-20)13-7-9-14(10-8-13)27(30)31/h7-12,16H,2-6H2,1H3,(H,28,29)(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 in human A549 cells microsomes assessed as reduction in PGE2 formation by RP-HPLC assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50273386 (2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2...) Show SMILES Cc1cccc(Nc2cc(Cl)nc(SC(C(O)=O)c3cccc4ccccc34)n2)c1C Show InChI InChI=1S/C24H20ClN3O2S/c1-14-7-5-12-19(15(14)2)26-21-13-20(25)27-24(28-21)31-22(23(29)30)18-11-6-9-16-8-3-4-10-17(16)18/h3-13,22H,1-2H3,(H,29,30)(H,26,27,28)	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	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Activation of human PPARgamma ligand binding domain expressed in COS7 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443836 (CHEMBL3094433) Show SMILES CCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C17H14Cl2N4O2S2/c1-2-12(15(24)25)27-17-21-13(19)7-14(23-17)22-16-20-11(8-26-16)9-3-5-10(18)6-4-9/h3-8,12H,2H2,1H3,(H,24,25)(H,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443834 (CHEMBL3091496) Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H10Cl2N4O2S2/c16-9-3-1-8(2-4-9)10-6-24-14(18-10)20-12-5-11(17)19-15(21-12)25-7-13(22)23/h1-6H,7H2,(H,22,23)(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC method				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443834 (CHEMBL3091496) Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C15H10Cl2N4O2S2/c16-9-3-1-8(2-4-9)10-6-24-14(18-10)20-12-5-11(17)19-15(21-12)25-7-13(22)23/h1-6H,7H2,(H,22,23)(H,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human PMNL cells assessed as reduction in 5-LOX product formation pre-incubated for 15 mins by HPLC based cell-free assay				Bioorg Med Chem Lett 24: 3757-63 (2014) Article DOI: 10.1016/j.bmcl.2014.06.077 BindingDB Entry DOI: 10.7270/Q27W6DTR
					More data for this Ligand-Target Pair

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