Compile Data Set for Download or QSAR

Found 27 hits with Last Name = 'dadashpour' 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
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM82353 (1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1...) Show SMILES Fc1ccccc1N1CCN(CCCn2ccc3ccccc23)CC1 Show InChI InChI=1S/C21H24FN3/c22-19-7-2-4-9-21(19)25-16-14-23(15-17-25)11-5-12-24-13-10-18-6-1-3-8-20(18)24/h1-4,6-10,13H,5,11-12,14-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes after 180 mins by scintillation counting method				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM82351 (1-{[4-(substitutedphenyl/phenylethyl)piperazin1-yl...) Show SMILES Cc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H27N3/c1-19-17-25(22-10-6-5-9-21(19)22)18-24-15-13-23(14-16-24)12-11-20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Rattus norvegicus (Rat))	BDBM82351 (1-{[4-(substitutedphenyl/phenylethyl)piperazin1-yl...) Show SMILES Cc1cn(CN2CCN(CCc3ccccc3)CC2)c2ccccc12 Show InChI InChI=1S/C22H27N3/c1-19-17-25(22-10-6-5-9-21(19)22)18-24-15-13-23(14-16-24)12-11-20-7-3-2-4-8-20/h2-10,17H,11-16,18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma-2 receptor in rat liver membranes after 180 mins by scintillation counting method				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) preincubated for 15 mins followed by acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin substrate addition and...				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50220811 (CHEMBL56157) Show SMILES ONC(=O)CCCCCCNC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C16H21N3O3/c20-15(19-22)9-3-1-2-6-10-17-16(21)14-11-12-7-4-5-8-13(12)18-14/h4-5,7-8,11,18,22H,1-3,6,9-10H2,(H,17,21)(H,19,20)	PDB UniProtKB/SwissProt DrugBank antibodypedia 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
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1/2 in human K562 nuclear extract using (QSY-7)-RGGRGLGK(Ac)-GGARRHRK(TAMRA)NH2 as substrate incubated for 30 mins by fluorescence ...				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM19428 ((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...) Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human H1299 cells derived HDAC using biotin-labeled SGRGKGGKGLGKGGAKRHRKVLRD peracetylated with [3H]acetate at lysine residue as substr...				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50458326 (CHEMBL4209288) Show SMILES CN(C)CCCOc1cc(nc(N)n1)-c1ccc2[nH]cc(-c3ccnc(N)n3)c2c1 Show InChI InChI=1S/C21H24N8O/c1-29(2)8-3-9-30-19-11-18(27-21(23)28-19)13-4-5-16-14(10-13)15(12-25-16)17-6-7-24-20(22)26-17/h4-7,10-12,25H,3,8-9H2,1-2H3,(H2,22,24,26)(H2,23,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50134232 ((E)-N-Hydroxy-3-(4-{[2-(1H-indol-3-yl)-ethylamino]...) Show SMILES ONC(=O)\C=C\c1ccc(CNCCc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H21N3O2/c24-20(23-25)10-9-15-5-7-16(8-6-15)13-21-12-11-17-14-22-19-4-2-1-3-18(17)19/h1-10,14,21-22,25H,11-13H2,(H,23,24)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human H1299 cells derived HDAC using biotin-labeled SGRGKGGKGLGKGGAKRHRKVLRD peracetylated with [3H]acetate at lysine residue as substr...				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50458322 (CHEMBL4206921) Show SMILES CCN(CC)CCCOc1cc(nc(N)n1)-c1ccc2[nH]cc(-c3ccnc(N)n3)c2c1 Show InChI InChI=1S/C23H28N8O/c1-3-31(4-2)10-5-11-32-21-13-20(29-23(25)30-21)15-6-7-18-16(12-15)17(14-27-18)19-8-9-26-22(24)28-19/h6-9,12-14,27H,3-5,10-11H2,1-2H3,(H2,24,26,28)(H2,25,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50458324 (CHEMBL4202863) Show SMILES Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(cc2)C(=O)NO)cc1 |r| Show InChI InChI=1S/C26H24N4O4/c1-16-6-12-20(13-7-16)28-26(33)23(14-19-15-27-22-5-3-2-4-21(19)22)29-24(31)17-8-10-18(11-9-17)25(32)30-34/h2-13,15,23,27,34H,14H2,1H3,(H,28,33)(H,29,31)(H,30,32)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa nuclear extract preincubated for 10 mins followed by Boc-Lys(acetyl)-AMC substrate addition measured after 30 mins b...				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50458323 (CHEMBL4207448) Show SMILES COc1ccc2[nH]cc(Cn3cc(COc4ccc(\C=C\C(=O)NO)cc4OC)nn3)c2c1 Show InChI InChI=1S/C23H23N5O5/c1-31-18-5-6-20-19(10-18)16(11-24-20)12-28-13-17(25-27-28)14-33-21-7-3-15(9-22(21)32-2)4-8-23(29)26-30/h3-11,13,24,30H,12,14H2,1-2H3,(H,26,29)/b8-4+	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	78	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM152804 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES COc1ccc(cc1)C(=N/O)\C(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15NO5S/c1-22-13-7-3-11(4-8-13)15(17-19)16(18)12-5-9-14(10-6-12)23(2,20)21/h3-10,19H,1-2H3/b17-15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50458325 (CHEMBL342474) Show SMILES ONC(=O)\C=C\c1ccc(CNCCCc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O2/c22-19(21-23)13-12-17-8-10-18(11-9-17)15-20-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,20,23H,4,7,14-15H2,(H,21,22)/b13-12+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human H1299 cells derived HDAC using biotin-labeled SGRGKGGKGLGKGGAKRHRKVLRD peracetylated with [3H]acetate at lysine residue as substr...				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM152806 ((2E)-2-(4-fluorophenyl)-2-(N-hydroxyimino)-1-(4-me...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4S/c1-22(20,21)13-8-4-11(5-9-13)15(18)14(17-19)10-2-6-12(16)7-3-10/h2-9,19H,1H3/b17-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	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	1.85E+4	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM152805 ((2E)-2-(4-chlorophenyl)-2-(N-hydroxyimino)-1-(4-me...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClNO4S/c1-22(20,21)13-8-4-11(5-9-13)15(18)14(17-19)10-2-6-12(16)7-3-10/h2-9,19H,1H3/b17-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM152804 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES COc1ccc(cc1)C(=N/O)\C(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15NO5S/c1-22-13-7-3-11(4-8-13)15(17-19)16(18)12-5-9-14(10-6-12)23(2,20)21/h3-10,19H,1-2H3/b17-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM152803 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES Cc1ccc(cc1)C(=N/O)\C(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15NO4S/c1-11-3-5-12(6-4-11)15(17-19)16(18)13-7-9-14(10-8-13)22(2,20)21/h3-10,19H,1-2H3/b17-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM152802 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccccc1 Show InChI InChI=1S/C15H13NO4S/c1-21(19,20)13-9-7-12(8-10-13)15(17)14(16-18)11-5-3-2-4-6-11/h2-10,18H,1H3/b16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM152806 ((2E)-2-(4-fluorophenyl)-2-(N-hydroxyimino)-1-(4-me...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccc(F)cc1 Show InChI InChI=1S/C15H12FNO4S/c1-22(20,21)13-8-4-11(5-9-13)15(18)14(17-19)10-2-6-12(16)7-3-10/h2-9,19H,1H3/b17-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50458324 (CHEMBL4202863) Show SMILES Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(cc2)C(=O)NO)cc1 |r| Show InChI InChI=1S/C26H24N4O4/c1-16-6-12-20(13-7-16)28-26(33)23(14-19-15-27-22-5-3-2-4-21(19)22)29-24(31)17-8-10-18(11-9-17)25(32)30-34/h2-13,15,23,27,34H,14H2,1H3,(H,28,33)(H,29,31)(H,30,32)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Mazandaran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of HDAC4 (unknown origin)				Eur J Med Chem 150: 9-29 (2018) Article DOI: 10.1016/j.ejmech.2018.02.065 BindingDB Entry DOI: 10.7270/Q2X92DXX
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM152805 ((2E)-2-(4-chlorophenyl)-2-(N-hydroxyimino)-1-(4-me...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClNO4S/c1-22(20,21)13-8-4-11(5-9-13)15(18)14(17-19)10-2-6-12(16)7-3-10/h2-9,19H,1H3/b17-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM152803 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES Cc1ccc(cc1)C(=N/O)\C(=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C16H15NO4S/c1-11-3-5-12(6-4-11)15(17-19)16(18)13-7-9-14(10-8-13)22(2,20)21/h3-10,19H,1-2H3/b17-15+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM152802 ((2E)-2-(N-hydroxyimino)-1-(4-methanesulfonylphenyl...) Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)C(=N\O)\c1ccccc1 Show InChI InChI=1S/C15H13NO4S/c1-21(19,20)13-9-7-12(8-10-13)15(17)14(16-18)11-5-3-2-4-6-11/h2-10,18H,1H3/b16-14+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.13E+5	n/a	n/a	n/a	n/a	8.0	25
Mazandaran University of Medical Sciences					Assay Description Reaction mixtures were prepared in 100 mM Tris¿HCl buffer, pH 8.0 containing 1 µM heme and COX-1 or COX-2 and preincubated for 10 min in a waterbath ...				Chem Biol Drug Des 85: 494-503 (2015) Article DOI: 10.1111/cbdd.12435 BindingDB Entry DOI: 10.7270/Q21C1VK2
					More data for this Ligand-Target Pair