Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'van?k' and Initial = 't'   

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
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50380205 (NYMPHAEOL A) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r| Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50468223 (CHEMBL463675) Show SMILES [#6]-[#8]-c1cc(cc(-[#8])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-22-24(25(17)30)19(28)13-21(33-22)16-10-20(29)26(31)23(11-16)32-4/h6,8,10-12,21,27,29-31H,5,7,9,13H2,1-4H3/b15-8+/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50468227 (CHEMBL3581353) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]C1([#6])[#8]-c2cc3-[#8]-[#6@@H](-[#6]-[#6](=O)-c3c(-[#8])c2-[#6]=[#6]1)-c1cc(-[#8])cc(-[#8])c1 |r,c:23| Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-7-25(3)8-6-18-21(31-25)13-22-23(24(18)29)19(28)12-20(30-22)15-9-16(26)11-17(27)10-15/h5-6,8-11,13,20,26-27,29H,4,7,12H2,1-3H3/t20-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50468222 (CHEMBL4293397) Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c3cc2-[#8]-1 |c:20| Show InChI InChI=1S/C27H30O7/c1-15(2)7-6-9-27(3)10-8-17-20(34-27)14-21-24(25(17)29)18(28)13-19(33-21)16-11-22(31-4)26(30)23(12-16)32-5/h7-8,10-12,14,19,29-30H,6,9,13H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50278950 (CHEMBL463842) Show SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-22-25(26(18)30)20(29)14-21(34-22)17-11-23(32-4)27(31)24(12-17)33-5/h7,9,11-13,21,28,30-31H,6,8,10,14H2,1-5H3/b16-9+/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50380205 (NYMPHAEOL A) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r| Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50468225 (CHEMBL4282134) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2occc(=O)c2c1-[#8] Show InChI InChI=1S/C19H22O4/c1-12(2)5-4-6-13(3)7-8-14-16(21)11-17-18(19(14)22)15(20)9-10-23-17/h5,7,9-11,21-22H,4,6,8H2,1-3H3/b13-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX assessed as reduction in leukotriene B4 production pre-incubated for 10 mins before arachidonic acid addition a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50468223 (CHEMBL463675) Show SMILES [#6]-[#8]-c1cc(cc(-[#8])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-22-24(25(17)30)19(28)13-21(33-22)16-10-20(29)26(31)23(11-16)32-4/h6,8,10-12,21,27,29-31H,5,7,9,13H2,1-4H3/b15-8+/t21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50380198 (BONANNIONE A) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50468226 (CHEMBL3581346) Show SMILES [#6]-[#8]-c1cc(cc(-[#8])c1-[#8]-[#6])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-23-25(26(18)31)20(29)14-22(34-23)17-11-21(30)27(33-5)24(12-17)32-4/h7,9,11-13,22,28,30-31H,6,8,10,14H2,1-5H3/b16-9+/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50380205 (NYMPHAEOL A) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r| Show InChI InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50380198 (BONANNIONE A) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50468226 (CHEMBL3581346) Show SMILES [#6]-[#8]-c1cc(cc(-[#8])c1-[#8]-[#6])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C27H32O7/c1-15(2)7-6-8-16(3)9-10-18-19(28)13-23-25(26(18)31)20(29)14-22(34-23)17-11-21(30)27(33-5)24(12-17)32-4/h7,9,11-13,22,28,30-31H,6,8,10,14H2,1-5H3/b16-9+/t22-/m0/s1	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	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50468224 (CHEMBL4278258) Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c3cc2-[#8]-1 |r,c:18| Show InChI InChI=1S/C26H28O6/c1-15(2)6-5-10-26(3)11-9-17-21(32-26)14-23-24(25(17)29)19(28)13-20(31-23)16-7-8-18(27)22(12-16)30-4/h6-9,11-12,14,20,27,29H,5,10,13H2,1-4H3/t20-,26?/m0/s1	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	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50468223 (CHEMBL463675) Show SMILES [#6]-[#8]-c1cc(cc(-[#8])c1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r| Show InChI InChI=1S/C26H30O7/c1-14(2)6-5-7-15(3)8-9-17-18(27)12-22-24(25(17)30)19(28)13-21(33-22)16-10-20(29)26(31)23(11-16)32-4/h6,8,10-12,21,27,29-31H,5,7,9,13H2,1-4H3/b15-8+/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured a...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50468224 (CHEMBL4278258) Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c3-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c3cc2-[#8]-1 |r,c:18| Show InChI InChI=1S/C26H28O6/c1-15(2)6-5-10-26(3)11-9-17-21(32-26)14-23-24(25(17)29)19(28)13-20(31-23)16-7-8-18(27)22(12-16)30-4/h6-9,11-12,14,20,27,29H,5,10,13H2,1-4H3/t20-,26?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ram seminal vesicle COX1 assessed as reduction in PGE2 formation pre-incubated for 5 mins before arachidonic acid addition and measured...				J Nat Prod 80: 999-1006 (2017) Article DOI: 10.1021/acs.jnatprod.6b01011 BindingDB Entry DOI: 10.7270/Q2668GW1
					More data for this Ligand-Target Pair