Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'matthew' and Initial = 's'   

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
Aryl hydrocarbon receptor (Rattus norvegicus)	BDBM50240990 (2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole | 5-...) Show SMILES COc1ccc(cc1OC)-c1nc2cc(F)ccc2s1 Show InChI InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Displacement of [3H]tetrachlorodibenzo-p-dioxin from aryl hydrocarbon receptor in CRL:WI rat liver cytosol				J Med Chem 51: 5135-9 (2008) Article DOI: 10.1021/jm800418z BindingDB Entry DOI: 10.7270/Q23X86F6
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211726 (CHEMBL403896 | FR-901451) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)[C@@H]3COC(=O)C[C@H](NC(=O)[C@H](Cc4cc5ccccc5[nH]4)NC2=O)C(=O)N[C@@H](CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N3)C(O)=O Show InChI InChI=1S/C61H81N13O18/c1-30(2)23-39-53(81)65-37-17-10-11-21-63-46(76)27-43(61(89)90)71-55(83)41-28-48(78)91-29-44(72-57(85)45-18-12-22-74(45)60(88)42(70-51(37)79)24-33-13-6-5-7-14-33)56(84)66-38(19-20-47(77)92-32(4)50(59(87)69-39)73-58(86)49(62)31(3)75)52(80)67-40(54(82)68-41)26-35-25-34-15-8-9-16-36(34)64-35/h5-9,13-16,25,30-32,37-45,49-50,64,75H,10-12,17-24,26-29,62H2,1-4H3,(H,63,76)(H,65,81)(H,66,84)(H,67,80)(H,68,82)(H,69,87)(H,70,79)(H,71,83)(H,72,85)(H,73,86)(H,89,90)/t31-,32+,37+,38+,39+,40+,41+,42+,43+,44+,45+,49+,50+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50080264 (1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydr...) Show SMILES C\C=C1/NC(=O)[C@H]2NC(=O)[C@H](CCCNC(=O)Nc3cc(O)c(O)cc3C[C@H](N(C)C(=O)[C@H](Cc3ccccc3)N3[C@H](O)CC[C@H](NC1=O)C3=O)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)NC(=O)C(C)C Show InChI InChI=1S/C47H63N9O13/c1-8-28-40(61)51-30-16-17-36(59)56(44(30)65)33(19-26-13-10-9-11-14-26)45(66)55(7)32-20-27-21-34(57)35(58)22-31(27)52-47(68)48-18-12-15-29(50-39(60)24(4)5)41(62)54-38(43(64)49-28)25(6)69-46(67)37(23(2)3)53-42(32)63/h8-11,13-14,21-25,29-30,32-33,36-38,57-59H,12,15-20H2,1-7H3,(H,49,64)(H,50,60)(H,51,61)(H,53,63)(H,54,62)(H2,48,52,68)/b28-8-/t25-,29-,30-,32-,33-,36+,37-,38-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211725 ((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...) Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C51H80N12O15S2/c1-6-8-11-31(52)43(69)58-35-24-79-80-25-39(55-33(51(77)78)22-29-14-16-30(66)17-15-29)59-44(70)32(18-19-38(53)67)56-47(73)36-12-9-20-62(36)49(75)37-13-10-21-63(37)50(76)40(26(3)7-2)60-45(71)34(23-64)57-42(68)27(4)54-48(74)41(28(5)65)61-46(35)72/h14-17,26-28,31-37,39-41,55,64-66H,6-13,18-25,52H2,1-5H3,(H2,53,67)(H,54,74)(H,56,73)(H,57,68)(H,58,69)(H,59,70)(H,60,71)(H,61,72)(H,77,78)/t26-,27-,28+,31-,32-,33-,34-,35-,36-,37-,39+,40-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211723 (2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6] Show InChI InChI=1S/C66H101N17O18S2/c1-33(2)25-39-55(91)78-44-31-102-103-32-45(77-54(90)38(17-11-21-69-66(67)68)71-49(86)29-70-53(89)40(28-50(87)88)73-59(95)46-18-12-22-81(46)64(100)42(75-57(44)93)27-37-15-9-8-10-16-37)58(94)80-52(36(7)85)62(98)79-51(35(5)6)61(97)76-43(30-84)56(92)74-41(26-34(3)4)63(99)83-24-14-20-48(83)65(101)82-23-13-19-47(82)60(96)72-39/h8-10,15-16,33-36,38-48,51-52,84-85H,11-14,17-32H2,1-7H3,(H,70,89)(H,71,86)(H,72,96)(H,73,95)(H,74,92)(H,75,93)(H,76,97)(H,77,90)(H,78,91)(H,79,98)(H,80,94)(H,87,88)(H4,67,68,69)/t36-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,51+,52+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211721 ((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...) Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C53H84N12O15S2/c1-7-9-12-32(54)44(70)59-36-25-81-82-26-40(56-34(53(79)80)23-30-15-17-31(68)18-16-30)60-45(71)33(19-20-39(55)69)57-48(74)37-13-10-21-64(37)51(77)38-14-11-22-65(38)52(78)42(28(5)8-2)62-46(72)35(24-66)58-50(76)43(29(6)67)63-49(75)41(27(3)4)61-47(36)73/h15-18,27-29,32-38,40-43,56,66-68H,7-14,19-26,54H2,1-6H3,(H2,55,69)(H,57,74)(H,58,76)(H,59,70)(H,60,71)(H,61,73)(H,62,72)(H,63,75)(H,79,80)/t28-,29+,32-,33-,34-,35-,36-,37-,38-,40+,41-,42-,43-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50211722 ((2S)-2-{[(3S,9S,12S,15S,18S,21R,26R,29S,32S)-21-[(...) Show SMILES CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC Show InChI InChI=1S/C52H82N12O16S2/c1-6-8-11-31(53)43(70)58-35-24-81-82-25-39(55-33(52(79)80)22-29-14-16-30(68)17-15-29)59-44(71)32(18-19-38(54)69)56-47(74)36-12-9-20-63(36)50(77)37-13-10-21-64(37)51(78)40(26(3)7-2)60-45(72)34(23-65)57-48(75)41(27(4)66)62-49(76)42(28(5)67)61-46(35)73/h14-17,26-28,31-37,39-42,55,65-68H,6-13,18-25,53H2,1-5H3,(H2,54,69)(H,56,74)(H,57,75)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,76)(H,79,80)/t26-,27+,28+,31-,32-,33-,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase				Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063777 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063780 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Rattus norvegicus)	BDBM50240990 (2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole | 5-...) Show SMILES COc1ccc(cc1OC)-c1nc2cc(F)ccc2s1 Show InChI InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Displacement of [3H]tetrachlorodibenzo-p-dioxin from aryl hydrocarbon receptor in CRL:WI rat liver cytosol				J Med Chem 51: 5135-9 (2008) Article DOI: 10.1021/jm800418z BindingDB Entry DOI: 10.7270/Q23X86F6
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063779 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H28O2/c1-7-8-9-16(20)13-10-14(18(2,3)4)17-15(11-13)19(5,6)12-21-17/h10-11H,7-9,12H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063780 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50196926 (CHEMBL438139 | Rocaglamide | US10085988, Compound ...) Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA				J Nat Prod 74: 1126-31 (2011) Article DOI: 10.1021/np200062x BindingDB Entry DOI: 10.7270/Q25M6621
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50196926 (CHEMBL438139 | Rocaglamide | US10085988, Compound ...) Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r| Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...				J Nat Prod 74: 1117-25 (2011) Article DOI: 10.1021/np200051j BindingDB Entry DOI: 10.7270/Q20C4W31
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063778 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C20H30O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h11-12H,7-10,13H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063781 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H26O2/c1-7-8-15(19)12-9-13(17(2,3)4)16-14(10-12)18(5,6)11-20-16/h9-10H,7-8,11H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063781 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H26O2/c1-7-8-15(19)12-9-13(17(2,3)4)16-14(10-12)18(5,6)11-20-16/h9-10H,7-8,11H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063789 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(Cl)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H27ClO2/c1-17(2,3)13-8-12(15(21)10-19(6,7)20)9-14-16(13)22-11-18(14,4)5/h8-9H,10-11H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063777 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063787 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC1CC1 Show InChI InChI=1S/C21H30O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h11-12,14H,6-10,13H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063782 ((E)-1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzo...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)C=CCC1CC1 |w:18.20| Show InChI InChI=1S/C21H28O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h6,8,11-12,14H,7,9-10,13H2,1-5H3	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	250	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50336457 ((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA				J Nat Prod 74: 1126-31 (2011) Article DOI: 10.1021/np200062x BindingDB Entry DOI: 10.7270/Q25M6621
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063788 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CSCC1CC1 Show InChI InChI=1S/C20H28O2S/c1-19(2,3)15-8-14(17(21)11-23-10-13-6-7-13)9-16-18(15)22-12-20(16,4)5/h8-9,13H,6-7,10-12H2,1-5H3	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	400	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063788 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CSCC1CC1 Show InChI InChI=1S/C20H28O2S/c1-19(2,3)15-8-14(17(21)11-23-10-13-6-7-13)9-16-18(15)22-12-20(16,4)5/h8-9,13H,6-7,10-12H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50347543 (CHEMBL1801948) Show SMILES C[C@H]1CCCC(=O)C(=O)C(=O)CCCc2cc(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H20O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h8-10,19,22H,2-7H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Greensboro Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA				J Nat Prod 74: 1126-31 (2011) Article DOI: 10.1021/np200062x BindingDB Entry DOI: 10.7270/Q25M6621
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063782 ((E)-1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzo...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)C=CCC1CC1 |w:18.20| Show InChI InChI=1S/C21H28O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h6,8,11-12,14H,7,9-10,13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063789 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(Cl)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H27ClO2/c1-17(2,3)13-8-12(15(21)10-19(6,7)20)9-14-16(13)22-11-18(14,4)5/h8-9H,10-11H2,1-7H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063779 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H28O2/c1-7-8-9-16(20)13-10-14(18(2,3)4)17-15(11-13)19(5,6)12-21-17/h10-11H,7-9,12H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063785 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CS(=O)(=O)CC1CC1 Show InChI InChI=1S/C20H28O4S/c1-19(2,3)15-8-14(9-16-18(15)24-12-20(16,4)5)17(21)11-25(22,23)10-13-6-7-13/h8-9,13H,6-7,10-12H2,1-5H3	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063790 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CN(CC1CC1)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C21H31NO2/c1-20(2,3)16-9-15(10-17-19(16)24-13-21(17,4)5)18(23)12-22(6)11-14-7-8-14/h9-10,14H,7-8,11-13H2,1-6H3	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50346334 (1,3,7-trihydroxy-2,4-diisoprenylxanthone | CHEMBL1...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3ccc(-[#8])cc3c(=O)c2c1-[#8] Show InChI InChI=1S/C23H24O5/c1-12(2)5-8-15-20(25)16(9-6-13(3)4)23-19(21(15)26)22(27)17-11-14(24)7-10-18(17)28-23/h5-7,10-11,24-26H,8-9H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...				J Nat Prod 74: 1117-25 (2011) Article DOI: 10.1021/np200051j BindingDB Entry DOI: 10.7270/Q20C4W31
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50063783 (1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-...) Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description The compound was tested for the concentration (in microM) to inhibit 50% of 5-Lipoxygenase (5-LOX) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50009859 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...) Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063784 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CS(=O)CC1CC1 Show InChI InChI=1S/C20H28O3S/c1-19(2,3)15-8-14(9-16-18(15)23-12-20(16,4)5)17(21)11-24(22)10-13-6-7-13/h8-9,13H,6-7,10-12H2,1-5H3	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50063786 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C21H32O2/c1-14(2)9-8-10-18(22)15-11-16(20(3,4)5)19-17(12-15)21(6,7)13-23-19/h11-12,14H,8-10,13H2,1-7H3	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 2 (COX-2) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50063777 ((7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)c1ccccc1 Show InChI InChI=1S/C21H24O2/c1-20(2,3)16-11-15(18(22)14-9-7-6-8-10-14)12-17-19(16)23-13-21(17,4)5/h6-12H,13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description The compound was tested for the concentration (in microM) to inhibit 50% of 5-Lipoxygenase (5-LOX) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063785 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CS(=O)(=O)CC1CC1 Show InChI InChI=1S/C20H28O4S/c1-19(2,3)15-8-14(9-16-18(15)24-12-20(16,4)5)17(21)11-25(22,23)10-13-6-7-13/h8-9,13H,6-7,10-12H2,1-5H3	PDB UniProtKB/SwissProt 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
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50063780 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC#C Show InChI InChI=1S/C20H26O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h1,11-12H,8-10,13H2,2-6H3	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description The compound was tested for the concentration (in microM) to inhibit 50% of 5-Lipoxygenase (5-LOX) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Isocitrate lyase (Candida albicans)	BDBM50274515 (3-nitropropanoic acid | 3-nitropropionic acid | Bo...) Show SMILES [O-]C(=O)CC[N+]([O-])=O Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of Candida albicans isocitrate lyase after 30 mins				Bioorg Med Chem Lett 21: 7142-5 (2011) Article DOI: 10.1016/j.bmcl.2011.09.072 BindingDB Entry DOI: 10.7270/Q28G8M3R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063787 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC1CC1 Show InChI InChI=1S/C21H30O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h11-12,14H,6-10,13H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50063789 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(Cl)CC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C19H27ClO2/c1-17(2,3)13-8-12(15(21)10-19(6,7)20)9-14-16(13)22-11-18(14,4)5/h8-9H,10-11H2,1-7H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description The compound was tested for the concentration (in microM) to inhibit 50% of 5-Lipoxygenase (5-LOX) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50063787 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC1CC1 Show InChI InChI=1S/C21H30O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h11-12,14H,6-10,13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description The compound was tested for the concentration (in microM) to inhibit 50% of 5-Lipoxygenase (5-LOX) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50063781 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C18H26O2/c1-7-8-15(19)12-9-13(17(2,3)4)16-14(10-12)18(5,6)11-20-16/h9-10H,7-8,11H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description The compound was tested for the concentration (in microM) to inhibit 50% of 5-Lipoxygenase (5-LOX) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50346341 (6-O-benzoyl-alpha-mangostin | CHEMBL1782245) Show SMILES [#6]-[#8]-c1c(-[#8]-[#6](=O)-c2ccccc2)cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C31H30O7/c1-17(2)11-13-20-22(32)15-23-27(28(20)33)29(34)26-21(14-12-18(3)4)30(36-5)25(16-24(26)37-23)38-31(35)19-9-7-6-8-10-19/h6-12,15-16,32-33H,13-14H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...				J Nat Prod 74: 1117-25 (2011) Article DOI: 10.1021/np200051j BindingDB Entry DOI: 10.7270/Q20C4W31
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50346344 (7-O-Methylcochinchinone A | CHEMBL1782582) Show SMILES [#6]-[#8]-c1ccc2oc3c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1 Show InChI InChI=1S/C29H34O5/c1-17(2)8-7-9-19(5)11-14-22-26(30)21(13-10-18(3)4)27(31)25-28(32)23-16-20(33-6)12-15-24(23)34-29(22)25/h8,10-12,15-16,30-31H,7,9,13-14H2,1-6H3/b19-11+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...				J Nat Prod 74: 1117-25 (2011) Article DOI: 10.1021/np200051j BindingDB Entry DOI: 10.7270/Q20C4W31
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50346345 (3,7-Di-O-methylcochinchinone A | CHEMBL1782583) Show SMILES [#6]-[#8]-c1ccc2oc3c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1 Show InChI InChI=1S/C30H36O5/c1-18(2)9-8-10-20(5)12-15-23-29(34-7)22(14-11-19(3)4)27(31)26-28(32)24-17-21(33-6)13-16-25(24)35-30(23)26/h9,11-13,16-17,31H,8,10,14-15H2,1-7H3/b20-12+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...				J Nat Prod 74: 1117-25 (2011) Article DOI: 10.1021/np200051j BindingDB Entry DOI: 10.7270/Q20C4W31
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50214969 (1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...) Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...				J Nat Prod 74: 1117-25 (2011) Article DOI: 10.1021/np200051j BindingDB Entry DOI: 10.7270/Q20C4W31
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50063778 (1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofura...) Show SMILES CCCCCC(=O)c1cc2c(OCC2(C)C)c(c1)C(C)(C)C Show InChI InChI=1S/C20H30O2/c1-7-8-9-10-17(21)14-11-15(19(2,3)4)18-16(12-14)20(5,6)13-22-18/h11-12H,7-10,13H2,1-6H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Concentration (in microM) to inhibit 50% of Prostaglandin G/H synthase 1 (COX-1) and is expressed in IC50.				J Med Chem 41: 1112-23 (1998) Article DOI: 10.1021/jm970679q BindingDB Entry DOI: 10.7270/Q2K936N4
					More data for this Ligand-Target Pair

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