Compile Data Set for Download or QSAR

Found 294 hits with Last Name = 'ruan' and Initial = 'bf'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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	DrugBank PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) by chemiluminescence assay				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	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	DrugBank PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 19: 6827-32 (2011) Article DOI: 10.1016/j.bmc.2011.09.034 BindingDB Entry DOI: 10.7270/Q23T9HNZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429262 (CHEMBL2334141) Show SMILES CCCCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c1ccc(OC)cc1 Show InChI InChI=1S/C24H29NO4/c1-5-6-15-25-24(26)14-13-22-19(16-21(28-3)17-23(22)29-4)10-7-18-8-11-20(27-2)12-9-18/h7-14,16-17H,5-6,15H2,1-4H3,(H,25,26)/b10-7+,14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429284 (CHEMBL2333743) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCCCCl)cc1 Show InChI InChI=1S/C23H26ClNO4/c1-27-19-9-6-17(7-10-19)5-8-18-15-20(28-2)16-22(29-3)21(18)11-12-23(26)25-14-4-13-24/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,26)/b8-5+,12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429285 (CHEMBL2333742) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCCCl)cc1 Show InChI InChI=1S/C22H24ClNO4/c1-26-18-8-5-16(6-9-18)4-7-17-14-19(27-2)15-21(28-3)20(17)10-11-22(25)24-13-12-23/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)/b7-4+,11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429271 (CHEMBL2333735) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCC(Cl)CC2)cc1 Show InChI InChI=1S/C25H28ClNO4/c1-29-21-8-5-18(6-9-21)4-7-19-16-22(30-2)17-24(31-3)23(19)10-11-25(28)27-14-12-20(26)13-15-27/h4-11,16-17,20H,12-15H2,1-3H3/b7-4+,11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50575103 (CHEMBL4849582) Show SMILES COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)C3CC3)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion prein...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01007 BindingDB Entry DOI: 10.7270/Q2PN99FB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429273 (CHEMBL2333733) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CC(C)CC(C)C2)cc1 Show InChI InChI=1S/C27H33NO4/c1-19-14-20(2)18-28(17-19)27(29)13-12-25-22(15-24(31-4)16-26(25)32-5)9-6-21-7-10-23(30-3)11-8-21/h6-13,15-16,19-20H,14,17-18H2,1-5H3/b9-6+,13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429282 (CHEMBL2333745) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NC(C)C)cc1 Show InChI InChI=1S/C23H27NO4/c1-16(2)24-23(25)13-12-21-18(14-20(27-4)15-22(21)28-5)9-6-17-7-10-19(26-3)11-8-17/h6-16H,1-5H3,(H,24,25)/b9-6+,13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50575102 (CHEMBL4870161) Show SMILES COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)CCCl)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion prein...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01007 BindingDB Entry DOI: 10.7270/Q2PN99FB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50357965 (CHEMBL1916969) Show SMILES Brc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(n1)C(=O)NS(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C19H13Br2N3O6S2/c20-12-4-8-14(9-5-12)31(27,28)23-18(25)16-2-1-3-17(22-16)19(26)24-32(29,30)15-10-6-13(21)7-11-15/h1-11H,(H,23,25)(H,24,26)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 19: 6827-32 (2011) Article DOI: 10.1016/j.bmc.2011.09.034 BindingDB Entry DOI: 10.7270/Q23T9HNZ
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50575106 (Ent-Oridonin | Oridonin) Show SMILES [H][C@@]12CC[C@]3([H])[C@@]([C@@H]1O)(C(=O)C2=C)[C@@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@@]2([H])[C@@H]1O |r,THB:12:11:7:4.2.3,10:9:7:4.2.3| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion prein...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01007 BindingDB Entry DOI: 10.7270/Q2PN99FB
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50605174 (CHEMBL1164920) Show SMILES [H][C@@]12CC[C@]3([H])[C@@]([C@@H]1O)(C(=O)C2=C)[C@]1(O)OC[C@]32[C@@H](O)CCC(C)(C)[C@@]2([H])[C@@H]1O |r,THB:10:9:7:4.3.2,12:11:7:4.3.2| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114357 BindingDB Entry DOI: 10.7270/Q2B56PTR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429268 (CHEMBL2333738) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C24H27NO5/c1-27-20-8-5-18(6-9-20)4-7-19-16-21(28-2)17-23(29-3)22(19)10-11-24(26)25-12-14-30-15-13-25/h4-11,16-17H,12-15H2,1-3H3/b7-4+,11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM237225 (1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C21H19BrN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50429262 (CHEMBL2334141) Show SMILES CCCCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c1ccc(OC)cc1 Show InChI InChI=1S/C24H29NO4/c1-5-6-15-25-24(26)14-13-22-19(16-21(28-3)17-23(22)29-4)10-7-18-8-11-20(27-2)12-9-18/h7-14,16-17H,5-6,15H2,1-4H3,(H,25,26)/b10-7+,14-13+	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	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) by chemiluminescence assay				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50605172 (CHEMBL5202921) Show SMILES COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)c3ccco3)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114357 BindingDB Entry DOI: 10.7270/Q2B56PTR
					More data for this Ligand-Target Pair
ETS domain-containing protein Elk-1 (Homo sapiens (Human))	BDBM237214 (1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...) Show SMILES COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C21H19BrN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237225 (1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C21H19BrN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50429284 (CHEMBL2333743) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCCCCl)cc1 Show InChI InChI=1S/C23H26ClNO4/c1-27-19-9-6-17(7-10-19)5-8-18-15-20(28-2)16-22(29-3)21(18)11-12-23(26)25-14-4-13-24/h5-12,15-16H,4,13-14H2,1-3H3,(H,25,26)/b8-5+,12-11+	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	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) by chemiluminescence assay				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50429285 (CHEMBL2333742) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NCCCl)cc1 Show InChI InChI=1S/C22H24ClNO4/c1-26-18-8-5-16(6-9-18)4-7-17-14-19(27-2)15-21(28-3)20(17)10-11-22(25)24-13-12-23/h4-11,14-15H,12-13H2,1-3H3,(H,24,25)/b7-4+,11-10+	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	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) by chemiluminescence assay				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50575101 (CHEMBL4852097) Show SMILES COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(N)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion prein...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01007 BindingDB Entry DOI: 10.7270/Q2PN99FB
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM237214 (1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...) Show SMILES COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C21H19BrN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50575104 (CHEMBL4852880) Show SMILES COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)C3CCC3)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion prein...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01007 BindingDB Entry DOI: 10.7270/Q2PN99FB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50429271 (CHEMBL2333735) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCC(Cl)CC2)cc1 Show InChI InChI=1S/C25H28ClNO4/c1-29-21-8-5-18(6-9-21)4-7-19-16-22(30-2)17-24(31-3)23(19)10-11-25(28)27-14-12-20(26)13-15-27/h4-11,16-17,20H,12-15H2,1-3H3/b7-4+,11-10+	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	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) by chemiluminescence assay				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
ETS domain-containing protein Elk-1 (Homo sapiens (Human))	BDBM237225 (1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C21H19BrN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50605166 (CHEMBL5179667) Show SMILES COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)c3ccccc3)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114357 BindingDB Entry DOI: 10.7270/Q2B56PTR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429269 (CHEMBL2333737) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C25H30N2O4/c1-26-13-15-27(16-14-26)25(28)12-11-23-20(17-22(30-3)18-24(23)31-4)8-5-19-6-9-21(29-2)10-7-19/h5-12,17-18H,13-16H2,1-4H3/b8-5+,12-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50429268 (CHEMBL2333738) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCOCC2)cc1 Show InChI InChI=1S/C24H27NO5/c1-27-20-8-5-18(6-9-20)4-7-19-16-21(28-2)17-23(29-3)22(19)10-11-24(26)25-12-14-30-15-13-25/h4-11,16-17H,12-15H2,1-3H3/b7-4+,11-10+	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	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) by chemiluminescence assay				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50357967 (CHEMBL1916968) Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(n1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H13Cl2N3O6S2/c20-12-4-8-14(9-5-12)31(27,28)23-18(25)16-2-1-3-17(22-16)19(26)24-32(29,30)15-10-6-13(21)7-11-15/h1-11H,(H,23,25)(H,24,26)	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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 19: 6827-32 (2011) Article DOI: 10.1016/j.bmc.2011.09.034 BindingDB Entry DOI: 10.7270/Q23T9HNZ
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1 (Homo sapiens (Human))	BDBM237222 (1-(4-Hydroxy-3-methoxybenzyl)-1-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)N(Cc1ccc(O)c(OC)c1)C(=S)Nc1ccccc1 Show InChI InChI=1S/C22H22N2O3S/c1-26-19-11-9-18(10-12-19)24(22(28)23-17-6-4-3-5-7-17)15-16-8-13-20(25)21(14-16)27-2/h3-14,25H,15H2,1-2H3,(H,23,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
ETS domain-containing protein Elk-1 (Homo sapiens (Human))	BDBM237223 (1-(4-Fluorophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(F)cc2)ccc1O Show InChI InChI=1S/C21H19FN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50429273 (CHEMBL2333733) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CC(C)CC(C)C2)cc1 Show InChI InChI=1S/C27H33NO4/c1-19-14-20(2)18-28(17-19)27(29)13-12-25-22(15-24(31-4)16-26(25)32-5)9-6-21-7-10-23(30-3)11-8-21/h6-13,15-16,19-20H,14,17-18H2,1-5H3/b9-6+,13-12+	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	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) by chemiluminescence assay				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429277 (CHEMBL2333750) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C26H31NO4/c1-29-22-13-10-19(11-14-22)9-12-20-17-23(30-2)18-25(31-3)24(20)15-16-26(28)27-21-7-5-4-6-8-21/h9-18,21H,4-8H2,1-3H3,(H,27,28)/b12-9+,16-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50429282 (CHEMBL2333745) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)NC(C)C)cc1 Show InChI InChI=1S/C23H27NO4/c1-16(2)24-23(25)13-12-21-18(14-20(27-4)15-22(21)28-5)9-6-17-7-10-19(26-3)11-8-17/h6-16H,1-5H3,(H,24,25)/b9-6+,13-12+	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	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 (unknown origin) by chemiluminescence assay				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429263 (CHEMBL2334140) Show SMILES CCCNC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c1ccc(OC)cc1 Show InChI InChI=1S/C23H27NO4/c1-5-14-24-23(25)13-12-21-18(15-20(27-3)16-22(21)28-4)9-6-17-7-10-19(26-2)11-8-17/h6-13,15-16H,5,14H2,1-4H3,(H,24,25)/b9-6+,13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429279 (CHEMBL2333748) Show SMILES CCC(C)NC(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c1ccc(OC)cc1 Show InChI InChI=1S/C24H29NO4/c1-6-17(2)25-24(26)14-13-22-19(15-21(28-4)16-23(22)29-5)10-7-18-8-11-20(27-3)12-9-18/h7-17H,6H2,1-5H3,(H,25,26)/b10-7+,14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429296 (CHEMBL2333753) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 Show InChI InChI=1S/C29H31NO7/c1-32-22-11-8-19(9-12-22)7-10-20-15-23(33-2)18-25(34-3)24(20)13-14-28(31)30-21-16-26(35-4)29(37-6)27(17-21)36-5/h7-18H,1-6H3,(H,30,31)/b10-7+,14-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM237214 (1-(4-Bromophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3-...) Show SMILES COc1cc(CN(C(=O)Nc2ccccc2)c2ccc(Br)cc2)ccc1O Show InChI InChI=1S/C21H19BrN2O3/c1-27-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(26)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50605173 (CHEMBL5195047) Show SMILES COc1cc(OC)c(\C=C\[N+]([O-])=O)c(\C=C\c2ccc(NC(=O)c3cccs3)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114357 BindingDB Entry DOI: 10.7270/Q2B56PTR
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429294 (CHEMBL2333755) Show SMILES CCN(CC)C(=O)\C=C\c1c(OC)cc(OC)cc1\C=C\c1ccc(OC)cc1 Show InChI InChI=1S/C24H29NO4/c1-6-25(7-2)24(26)15-14-22-19(16-21(28-4)17-23(22)29-5)11-8-18-9-12-20(27-3)13-10-18/h8-17H,6-7H2,1-5H3/b11-8+,15-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50155928 (3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380) Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114357 BindingDB Entry DOI: 10.7270/Q2B56PTR
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50155928 (3,4-Methylenedioxyb-Nitrostyrene | CHEMBL596380) Show SMILES [O-][N+](=O)\C=C\c1ccc2OCOc2c1 Show InChI InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse bone marrow-derived macrophages assessed as reduction in IL-1beta secretion prein...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01007 BindingDB Entry DOI: 10.7270/Q2PN99FB
					More data for this Ligand-Target Pair
ETS domain-containing protein Elk-1 (Homo sapiens (Human))	BDBM237222 (1-(4-Hydroxy-3-methoxybenzyl)-1-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)N(Cc1ccc(O)c(OC)c1)C(=S)Nc1ccccc1 Show InChI InChI=1S/C22H22N2O3S/c1-26-19-11-9-18(10-12-19)24(22(28)23-17-6-4-3-5-7-17)15-16-8-13-20(25)21(14-16)27-2/h3-14,25H,15H2,1-2H3,(H,23,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429276 (CHEMBL2334136) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCCCC2C)cc1 Show InChI InChI=1S/C26H31NO4/c1-19-7-5-6-16-27(19)26(28)15-14-24-21(17-23(30-3)18-25(24)31-4)11-8-20-9-12-22(29-2)13-10-20/h8-15,17-19H,5-7,16H2,1-4H3/b11-8+,15-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
ETS domain-containing protein Elk-1 (Homo sapiens (Human))	BDBM237224 (1-(4-Chlorophenyl)-1-(4-hydroxy-3-methoxybenzyl)-3...) Show SMILES COc1cc(CN(C(=S)Nc2ccccc2)c2ccc(Cl)cc2)ccc1O Show InChI InChI=1S/C21H19ClN2O2S/c1-26-20-13-15(7-12-19(20)25)14-24(18-10-8-16(22)9-11-18)21(27)23-17-5-3-2-4-6-17/h2-13,25H,14H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University					Assay Description Detection of the effect of compounds on p-MEK1/2, t-ERK1/2, pERK1/2, p-Rsk1 and p-Elk-1 activity in B16-F10 cells was performed using ELISA kits (Inv...				J Enzyme Inhib Med Chem 27: 708-14 (2012) Article DOI: 10.3109/14756366.2011.608665 BindingDB Entry DOI: 10.7270/Q2N015FS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50429291 (CHEMBL2334131) Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N(CC(C)C)CC(C)C)cc1 Show InChI InChI=1S/C28H37NO4/c1-20(2)18-29(19-21(3)4)28(30)15-14-26-23(16-25(32-6)17-27(26)33-7)11-8-22-9-12-24(31-5)13-10-22/h8-17,20-21H,18-19H2,1-7H3/b11-8+,15-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hefei University of Technology Curated by ChEMBL					Assay Description Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production				Eur J Med Chem 62: 222-31 (2013) Article DOI: 10.1016/j.ejmech.2012.11.021 BindingDB Entry DOI: 10.7270/Q2M90B0F
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50357964 (CHEMBL1916967) Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)c1cccc(n1)C(=O)NS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C19H13F2N3O6S2/c20-12-4-8-14(9-5-12)31(27,28)23-18(25)16-2-1-3-17(22-16)19(26)24-32(29,30)15-10-6-13(21)7-11-15/h1-11H,(H,23,25)(H,24,26)	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	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of COX2 by chemiluminescent enzyme assay				Bioorg Med Chem 19: 6827-32 (2011) Article DOI: 10.1016/j.bmc.2011.09.034 BindingDB Entry DOI: 10.7270/Q23T9HNZ
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50105463 (2,7-diamino-10-ethyl-9-phenylphenanthridinium brom...) Show SMILES CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of telomerase activity expressed in human SGC7901 cells by SYBER green dye based TRAP				Bioorg Med Chem Lett 21: 2916-20 (2011) Article DOI: 10.1016/j.bmcl.2011.03.066 BindingDB Entry DOI: 10.7270/Q2N016VK
					More data for this Ligand-Target Pair

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