Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'lipton' and Initial = 'ma'   

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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Competitive inhibition of human quinone reductase 2 using menadione/N-methyldihydronicotinamide as substrate after 10 mins by double-reciprocal plot ...				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50256053 (5-(2-(naphthalen-2-yl)but-1-enyl)benzene-1,3-diol ...) Show SMILES CC\C(=C/c1cc(O)cc(O)c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H18O2/c1-2-15(9-14-10-19(21)13-20(22)11-14)18-8-7-16-5-3-4-6-17(16)12-18/h3-13,21-22H,2H2,1H3/b15-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440280 (CHEMBL489688) Show SMILES COc1ccc(\C=C(\c2cccc(c2)C(F)(F)F)C(F)(F)F)cc1OC Show InChI InChI=1S/C18H14F6O2/c1-25-15-7-6-11(9-16(15)26-2)8-14(18(22,23)24)12-4-3-5-13(10-12)17(19,20)21/h3-10H,1-2H3/b14-8-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247221 (5-(3,4-dimethoxystyryl)benzene-1,3-diol | CHEMBL47...) Show SMILES COc1ccc(\C=C\c2cc(O)cc(O)c2)cc1OC Show InChI InChI=1S/C16H16O4/c1-19-15-6-5-11(9-16(15)20-2)3-4-12-7-13(17)10-14(18)8-12/h3-10,17-18H,1-2H3/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50247277 (4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)phe...) Show SMILES C\C(=C/c1ccc(cc1)C(F)(F)F)c1ccc(O)cc1 Show InChI InChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+	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	470	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440268 (2-(3,5-Dimethoxystyryl)Naphthalene | CHEMBL473724) Show SMILES COc1cc(OC)cc(\C=C\c2ccc3ccccc3c2)c1 Show InChI InChI=1S/C20H18O2/c1-21-19-12-16(13-20(14-19)22-2)8-7-15-9-10-17-5-3-4-6-18(17)11-15/h3-14H,1-2H3/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50247271 (5-(3-fluorostyryl)benzene-1,3-diol | CHEMBL490482) Show SMILES Oc1cc(O)cc(\C=C\c2cccc(F)c2)c1 Show InChI InChI=1S/C14H11FO2/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b5-4+	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	820	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247230 (5-(2-(4-(trifluoromethyl)phenyl)prop-1-enyl)benzen...) Show SMILES C\C(=C/c1cc(O)cc(O)c1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H13F3O2/c1-10(6-11-7-14(20)9-15(21)8-11)12-2-4-13(5-3-12)16(17,18)19/h2-9,20-21H,1H3/b10-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	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	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247289 (5-(1-(4-(trifluoromethyl)phenyl)but-1-en-2-yl)benz...) Show SMILES CC\C(=C/c1ccc(cc1)C(F)(F)F)c1cc(O)cc(O)c1 Show InChI InChI=1S/C17H15F3O2/c1-2-12(13-8-15(21)10-16(22)9-13)7-11-3-5-14(6-4-11)17(18,19)20/h3-10,21-22H,2H2,1H3/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50247226 (5-(2-(4-hydroxyphenyl)prop-1-enyl)benzene-1,3-diol...) Show SMILES C\C(=C/c1cc(O)cc(O)c1)c1ccc(O)cc1 Show InChI InChI=1S/C15H14O3/c1-10(12-2-4-13(16)5-3-12)6-11-7-14(17)9-15(18)8-11/h2-9,16-18H,1H3/b10-6+	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	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50247283 (5-(1-(4-(dimethylamino)phenyl)prop-1-en-2-yl)benze...) Show SMILES CN(C)c1ccc(\C=C(/C)c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C17H19NO2/c1-12(14-9-16(19)11-17(20)10-14)8-13-4-6-15(7-5-13)18(2)3/h4-11,19-20H,1-3H3/b12-8+	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	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50256095 (4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)ben...) Show SMILES C\C(=C/c1ccc(cc1)C(F)(F)F)c1ccc(O)c(O)c1 Show InChI InChI=1S/C16H13F3O2/c1-10(12-4-7-14(20)15(21)9-12)8-11-2-5-13(6-3-11)16(17,18)19/h2-9,20-21H,1H3/b10-8+	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	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50247278 (5-(1-(4-hydroxyphenyl)prop-1-en-2-yl)benzene-1,3-d...) Show SMILES C\C(=C/c1ccc(O)cc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C15H14O3/c1-10(6-11-2-4-13(16)5-3-11)12-7-14(17)9-15(18)8-12/h2-9,16-18H,1H3/b10-6+	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	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247278 (5-(1-(4-hydroxyphenyl)prop-1-en-2-yl)benzene-1,3-d...) Show SMILES C\C(=C/c1ccc(O)cc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C15H14O3/c1-10(6-11-2-4-13(16)5-3-11)12-7-14(17)9-15(18)8-12/h2-9,16-18H,1H3/b10-6+	PDB UniProtKB/SwissProt 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
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247226 (5-(2-(4-hydroxyphenyl)prop-1-enyl)benzene-1,3-diol...) Show SMILES C\C(=C/c1cc(O)cc(O)c1)c1ccc(O)cc1 Show InChI InChI=1S/C15H14O3/c1-10(12-2-4-13(16)5-3-12)6-11-7-14(17)9-15(18)8-11/h2-9,16-18H,1H3/b10-6+	PDB UniProtKB/SwissProt 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
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50256049 (5-(1-(4-(dimethylamino)phenyl)but-1-en-2-yl)benzen...) Show SMILES CC\C(=C/c1ccc(cc1)N(C)C)c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H21NO2/c1-4-14(15-10-17(20)12-18(21)11-15)9-13-5-7-16(8-6-13)19(2)3/h5-12,20-21H,4H2,1-3H3/b14-9+	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247274 (3,5-Dihydroxyl-4'-nitro-trans-stilbene | 5-(4-nitr...) Show SMILES Oc1cc(O)cc(\C=C\c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H11NO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-17H/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50247229 (5-(2-(3-fluorophenyl)prop-1-enyl)benzene-1,3-diol ...) Show SMILES C\C(=C/c1cc(O)cc(O)c1)c1cccc(F)c1 Show InChI InChI=1S/C15H13FO2/c1-10(12-3-2-4-13(16)8-12)5-11-6-14(17)9-15(18)7-11/h2-9,17-18H,1H3/b10-5+	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	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50247277 (4-(1-(4-(trifluoromethyl)phenyl)prop-1-en-2-yl)phe...) Show SMILES C\C(=C/c1ccc(cc1)C(F)(F)F)c1ccc(O)cc1 Show InChI InChI=1S/C16H13F3O/c1-11(13-4-8-15(20)9-5-13)10-12-2-6-14(7-3-12)16(17,18)19/h2-10,20H,1H3/b11-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247284 (1,3-dimethoxy-5-(3,3,3-trifluoro-2-(4-fluorophenyl...) Show SMILES COc1cc(OC)cc(\C=C(\c2ccc(F)cc2)C(F)(F)F)c1 Show InChI InChI=1S/C17H14F4O2/c1-22-14-7-11(8-15(10-14)23-2)9-16(17(19,20)21)12-3-5-13(18)6-4-12/h3-10H,1-2H3/b16-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247224 (4-(3-fluorostyryl)-1,2-dimethoxybenzene | CHEMBL45...) Show SMILES COc1ccc(\C=C\c2cccc(F)c2)cc1OC Show InChI InChI=1S/C16H15FO2/c1-18-15-9-8-13(11-16(15)19-2)7-6-12-4-3-5-14(17)10-12/h3-11H,1-2H3/b7-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50256053 (5-(2-(naphthalen-2-yl)but-1-enyl)benzene-1,3-diol ...) Show SMILES CC\C(=C/c1cc(O)cc(O)c1)c1ccc2ccccc2c1 Show InChI InChI=1S/C20H18O2/c1-2-15(9-14-10-19(21)13-20(22)11-14)18-8-7-16-5-3-4-6-17(16)12-18/h3-13,21-22H,2H2,1H3/b15-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50256052 (5-(2-(3-fluorophenyl)but-1-enyl)benzene-1,3-diol |...) Show SMILES CC\C(=C/c1cc(O)cc(O)c1)c1cccc(F)c1 Show InChI InChI=1S/C16H15FO2/c1-2-12(13-4-3-5-14(17)9-13)6-11-7-15(18)10-16(19)8-11/h3-10,18-19H,2H2,1H3/b12-6+	PDB UniProtKB/SwissProt 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
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM23933 (1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(F)cc2)c1 Show InChI InChI=1S/C16H15FO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50247278 (5-(1-(4-hydroxyphenyl)prop-1-en-2-yl)benzene-1,3-d...) Show SMILES C\C(=C/c1ccc(O)cc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C15H14O3/c1-10(6-11-2-4-13(16)5-3-11)12-7-14(17)9-15(18)8-12/h2-9,16-18H,1H3/b10-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247229 (5-(2-(3-fluorophenyl)prop-1-enyl)benzene-1,3-diol ...) Show SMILES C\C(=C/c1cc(O)cc(O)c1)c1cccc(F)c1 Show InChI InChI=1S/C15H13FO2/c1-10(12-3-2-4-13(16)8-12)5-11-6-14(17)9-15(18)7-11/h2-9,17-18H,1H3/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50131688 ((E)-4-(3,5-dimethoxystyryl)phenol | 3,5-Dimethoxy-...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1 Show InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440277 (CHEMBL2426745) Show SMILES OC\C(=C/c1cc(O)cc(O)c1)c1ccc(O)cc1 Show InChI InChI=1S/C15H14O4/c16-9-12(11-1-3-13(17)4-2-11)5-10-6-14(18)8-15(19)7-10/h1-8,16-19H,9H2/b12-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247190 (5-(2-(4-chlorophenyl)prop-1-enyl)benzene-1,3-diol ...) Show SMILES C\C(=C/c1cc(O)cc(O)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H13ClO2/c1-10(12-2-4-13(16)5-3-12)6-11-7-14(17)9-15(18)8-11/h2-9,17-18H,1H3/b10-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247288 (5-(1-(3-fluorophenyl)but-1-en-2-yl)benzene-1,3-dio...) Show SMILES CC\C(=C/c1cccc(F)c1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H15FO2/c1-2-12(6-11-4-3-5-14(17)7-11)13-8-15(18)10-16(19)9-13/h3-10,18-19H,2H2,1H3/b12-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM76669 (3,4-dimethoxy-N-(2-naphthalenyl)benzamide | 3,4-di...) Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C19H17NO3/c1-22-17-10-8-15(12-18(17)23-2)19(21)20-16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,1-2H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440265 (CHEMBL2426739) Show SMILES COc1ccc(\C=C\c2ccc3ccccc3c2)cc1OC Show InChI InChI=1S/C20H18O2/c1-21-19-12-10-16(14-20(19)22-2)8-7-15-9-11-17-5-3-4-6-18(17)13-15/h3-14H,1-2H3/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440278 (CHEMBL2426744) Show SMILES Oc1ccc(cc1)C(=C\c1cc(O)cc(O)c1)\C#N Show InChI InChI=1S/C15H11NO3/c16-9-12(11-1-3-13(17)4-2-11)5-10-6-14(18)8-15(19)7-10/h1-8,17-19H/b12-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50185134 ((trans)-1-(4-nitrostyryl)-3,5-dimethoxybenzene | 1...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C16H15NO4/c1-20-15-9-13(10-16(11-15)21-2)4-3-12-5-7-14(8-6-12)17(18)19/h3-11H,1-2H3/b4-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50045921 (3,4,4'-trihydroxy-trans-stilbene | 4-(4-hydroxysty...) Show SMILES Oc1ccc(\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(16)14(17)9-11/h1-9,15-17H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440282 (CHEMBL2426740) Show SMILES COc1ccc(cc1)C(\C)=C\c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C18H20O3/c1-13(15-6-8-16(19-2)9-7-15)11-14-5-10-17(20-3)18(12-14)21-4/h5-12H,1-4H3/b13-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440267 (CHEMBL473725) Show SMILES COc1cccc(\C=C\c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C17H18O3/c1-18-15-6-4-5-13(11-15)7-8-14-9-10-16(19-2)17(12-14)20-3/h4-12H,1-3H3/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM23926 ((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...) Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1 Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50256049 (5-(1-(4-(dimethylamino)phenyl)but-1-en-2-yl)benzen...) Show SMILES CC\C(=C/c1ccc(cc1)N(C)C)c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H21NO2/c1-4-14(15-10-17(20)12-18(21)11-15)9-13-5-7-16(8-6-13)19(2)3/h5-12,20-21H,4H2,1-3H3/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247233 (1,3-dimethoxy-5-(3,3,3-trifluoro-1-(4-methoxypheny...) Show SMILES COc1ccc(\C=C(\c2cc(OC)cc(OC)c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H17F3O3/c1-22-14-6-4-12(5-7-14)8-17(18(19,20)21)13-9-15(23-2)11-16(10-13)24-3/h4-11H,1-3H3/b17-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440275 (CHEMBL2426747) Show SMILES NC(=O)C(=C/c1cc(O)cc(O)c1)\c1ccc(O)cc1 Show InChI InChI=1S/C15H13NO4/c16-15(20)14(10-1-3-11(17)4-2-10)7-9-5-12(18)8-13(19)6-9/h1-8,17-19H,(H2,16,20)/b14-7-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440270 (CHEMBL215432) Show SMILES COc1ccc(\C=C\c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C15H14O3/c1-18-13-7-4-11(5-8-13)2-3-12-6-9-14(16)15(17)10-12/h2-10,16-17H,1H3/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247287 (5-(1-(3,4-dimethoxyphenyl)but-1-en-2-yl)benzene-1,...) Show SMILES CC\C(=C/c1ccc(OC)c(OC)c1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C18H20O4/c1-4-13(14-9-15(19)11-16(20)10-14)7-12-5-6-17(21-2)18(8-12)22-3/h5-11,19-20H,4H2,1-3H3/b13-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50440281 (CHEMBL2426741) Show SMILES COc1cc(OC)cc(\C=C(/C)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C19H22O4/c1-13(15-6-7-18(22-4)19(11-15)23-5)8-14-9-16(20-2)12-17(10-14)21-3/h6-12H,1-5H3/b13-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) using N-methyldihydronicotinamide as co-substrate				Bioorg Med Chem 21: 6022-37 (2013) Article DOI: 10.1016/j.bmc.2013.07.037 BindingDB Entry DOI: 10.7270/Q21R6RX0
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50185134 ((trans)-1-(4-nitrostyryl)-3,5-dimethoxybenzene | 1...) Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C16H15NO4/c1-20-15-9-13(10-16(11-15)21-2)4-3-12-5-7-14(8-6-12)17(18)19/h3-11H,1-2H3/b4-3+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50247280 (5-(1-(3-fluorophenyl)prop-1-en-2-yl)benzene-1,3-di...) Show SMILES C\C(=C/c1cccc(F)c1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C15H13FO2/c1-10(5-11-3-2-4-13(16)6-11)12-7-14(17)9-15(18)8-12/h2-9,17-18H,1H3/b10-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem 17: 1044-54 (2009) Article DOI: 10.1016/j.bmc.2008.04.031 BindingDB Entry DOI: 10.7270/Q2WH2PRR
					More data for this Ligand-Target Pair

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