Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'safi' and Initial = 'a'   

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
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cell division cycle 25B was determined using mFP as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cell division cycle 25B was determined using mFP as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129576 (2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)| Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cell division cycle 25 was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129575 (2,5-Dihydroxy-3-(1H-indol-3-yl)-[1,4]benzoquinone ...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3ccccc23)C1=O Show InChI InChI=1S/C14H9NO4/c16-10-5-11(17)14(19)12(13(10)18)8-6-15-9-4-2-1-3-7(8)9/h1-4,6,12,15H,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory constant of compound against Cdc25B phosphatase was determined using mFP as a substrate				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50207432 (CHEMBL3909479) Show SMILES COc1ccc(cc1)-c1nc(NCC(O)=O)sc1-c1ccc(OC)cc1 Show InChI InChI=1S/C19H18N2O4S/c1-24-14-7-3-12(4-8-14)17-18(13-5-9-15(25-2)10-6-13)26-19(21-17)20-11-16(22)23/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					More data for this Ligand-Target Pair
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	340	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of human recombinant COX-2 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565488 (CHEMBL4783386) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50207431 (CHEMBL3892572) Show SMILES OC(=O)CNc1nc(c(s1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14N2O2S/c20-14(21)11-18-17-19-15(12-7-3-1-4-8-12)16(22-17)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25737 (12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid...) Show SMILES OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27| Show InChI InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50207435 (CHEMBL3960755) Show SMILES COc1ccc(cc1)-c1ncn(CC(O)=O)c1-c1ccc(OC)cc1 Show InChI InChI=1S/C19H18N2O4/c1-24-15-7-3-13(4-8-15)18-19(21(12-20-18)11-17(22)23)14-5-9-16(25-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565490 (CHEMBL4788670) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50207430 (CHEMBL3924357) Show SMILES OC(=O)Cn1cnc(c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C17H14N2O2/c20-15(21)11-19-12-18-16(13-7-3-1-4-8-13)17(19)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					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	710	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					More data for this Ligand-Target Pair
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	950	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565489 (CHEMBL4779788) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NC2CCCCC2)cc1-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129579 (2,5-Dihydroxy-3-[7-(2-methyl-benzyl)-1H-indol-3-yl...) Show SMILES Cc1ccccc1Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C22H17NO4/c1-12-5-2-3-6-13(12)9-14-7-4-8-15-16(11-23-20(14)15)19-21(26)17(24)10-18(25)22(19)27/h2-8,11,19,23H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129579 (2,5-Dihydroxy-3-[7-(2-methyl-benzyl)-1H-indol-3-yl...) Show SMILES Cc1ccccc1Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C22H17NO4/c1-12-5-2-3-6-13(12)9-14-7-4-8-15-16(11-23-20(14)15)19-21(26)17(24)10-18(25)22(19)27/h2-8,11,19,23H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129583 (3-[7-(3,7-Dimethyl-octa-2,6-dienyl)-1H-indol-3-yl]...) Show SMILES CC(C)=CCC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-7.67,2.04,;-6.14,1.81,;-5.19,3.02,;-5.59,.39,;-4.07,.16,;-3.51,-1.28,;-1.99,-1.5,;-1.42,-2.94,;-1.02,-.29,;.5,-.54,;1.45,.67,;.88,2.09,;1.85,3.3,;3.36,3.06,;3.92,1.63,;5.36,1.09,;5.29,-.44,;3.82,-.84,;2.96,.43,;6.68,1.88,;6.64,3.42,;5.29,4.19,;7.97,4.21,;7.94,5.74,;9.32,3.46,;9.34,1.91,;10.69,1.14,;8.01,1.13,;8.03,-.4,)| Show InChI InChI=1S/C24H25NO4/c1-14(2)6-4-7-15(3)10-11-16-8-5-9-17-18(13-25-22(16)17)21-23(28)19(26)12-20(27)24(21)29/h5-6,8-10,13,21,25H,4,7,11-12H2,1-3H3/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565483 (CHEMBL4790503) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:27:28:25.26.31:32,THB:27:26:32:33.28.29,29:28:25:31.30.32,29:30:25:33.27.28| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565494 (CHEMBL4799379) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565488 (CHEMBL4783386) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1-c1ccccc1 Show InChI	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	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565486 (CHEMBL4789344) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NCCCCCCCCCCC(O)=O)cc1-c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565493 (CHEMBL4799227) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565487 (CHEMBL4790061) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Nc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565491 (CHEMBL4789520) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCC(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565490 (CHEMBL4788670) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1 |TLB:20:21:18.19.24:25,THB:20:19:25:26.21.22,22:21:18:24.23.25,22:23:18:26.20.21| Show InChI	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	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565485 (CHEMBL4792522) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NCCCC(O)=O)cc1-c1ccccc1 Show InChI	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	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565489 (CHEMBL4779788) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NC2CCCCC2)cc1-c1ccccc1 Show InChI	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	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565494 (CHEMBL4799379) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	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	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565483 (CHEMBL4790503) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:27:28:25.26.31:32,THB:27:26:32:33.28.29,29:28:25:31.30.32,29:30:25:33.27.28| Show InChI	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	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565486 (CHEMBL4789344) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(NC(=O)NCCCCCCCCCCC(O)=O)cc1-c1ccccc1 Show InChI	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	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129585 (3-(7-Benzyl-1H-indol-3-yl)-2,5-dihydroxy-[1,4]benz...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(Cc4ccccc4)cccc23)C1=O Show InChI InChI=1S/C21H15NO4/c23-16-10-17(24)21(26)18(20(16)25)15-11-22-19-13(7-4-8-14(15)19)9-12-5-2-1-3-6-12/h1-8,11,18,22H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129585 (3-(7-Benzyl-1H-indol-3-yl)-2,5-dihydroxy-[1,4]benz...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(Cc4ccccc4)cccc23)C1=O Show InChI InChI=1S/C21H15NO4/c23-16-10-17(24)21(26)18(20(16)25)15-11-22-19-13(7-4-8-14(15)19)9-12-5-2-1-3-6-12/h1-8,11,18,22H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129580 (3-[4,6-Dichloro-7-(3-methyl-but-2-enyl)-1H-indol-3...) Show SMILES CC(C)=CCc1c(Cl)cc(Cl)c2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-2.72,-7.25,;-1.19,-7.49,;-.63,-8.92,;-.23,-6.3,;-.78,-4.85,;.19,-3.66,;-.39,-2.22,;-1.93,-1.99,;.58,-1.03,;2.1,-1.27,;2.87,.07,;2.66,-2.69,;4.09,-3.24,;4.03,-4.76,;2.55,-5.16,;1.71,-3.89,;5.41,-2.45,;5.39,-.89,;4.03,-.12,;6.71,-.12,;6.67,1.42,;8.06,-.87,;8.08,-2.41,;9.44,-3.18,;6.76,-3.2,;6.76,-4.74,)| Show InChI InChI=1S/C19H15Cl2NO4/c1-8(2)3-4-9-11(20)5-12(21)15-10(7-22-17(9)15)16-18(25)13(23)6-14(24)19(16)26/h3,5,7,16,22H,4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565484 (CHEMBL4777518) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NC1CCCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129576 (2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)| Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129576 (2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)| Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565484 (CHEMBL4777518) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NC1CCCCC1 Show InChI	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	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129572 (3-(1H-Benzo[g]indol-3-yl)-2,5-dihydroxy-[1,4]benzo...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c2ccc2ccccc32)C1=O Show InChI InChI=1S/C18H11NO4/c20-13-7-14(21)18(23)15(17(13)22)12-8-19-16-10-4-2-1-3-9(10)5-6-11(12)16/h1-6,8,15,19H,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 1 (Homo sapiens (Human))	BDBM50129577 (2,5-Dihydroxy-3-(7-phenyl-1H-indol-3-yl)-[1,4]benz...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(cccc23)-c2ccccc2)C1=O Show InChI InChI=1S/C20H13NO4/c22-15-9-16(23)20(25)17(19(15)24)14-10-21-18-12(7-4-8-13(14)18)11-5-2-1-3-6-11/h1-8,10,17,21H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25A was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129577 (2,5-Dihydroxy-3-(7-phenyl-1H-indol-3-yl)-[1,4]benz...) Show SMILES O=C1CC(=O)C(=O)C(c2c[nH]c3c(cccc23)-c2ccccc2)C1=O Show InChI InChI=1S/C20H13NO4/c22-15-9-16(23)20(25)17(19(15)24)14-10-21-18-12(7-4-8-13(14)18)11-5-2-1-3-6-11/h1-8,10,17,21H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50207425 (CHEMBL3935079) Show SMILES COc1ccc(cc1)-c1nc(NCC(=O)N2CCN(C)CC2)sc1-c1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O3S/c1-27-12-14-28(15-13-27)21(29)16-25-24-26-22(17-4-8-19(30-2)9-5-17)23(32-24)18-6-10-20(31-3)11-7-18/h4-11H,12-16H2,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565487 (CHEMBL4790061) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Nc1cc(-c2ccccc2)n(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI	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	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50207434 (CHEMBL3981625) Show SMILES CN1CCN(CC1)C(=O)CNc1nc(c(s1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H24N4OS/c1-25-12-14-26(15-13-25)19(27)16-23-22-24-20(17-8-4-2-5-9-17)21(28-22)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50565492 (CHEMBL4794910) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCCCCCCCCC(O)=O Show InChI	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	3.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 2 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50207428 (CHEMBL3952057) Show SMILES COc1ccc(cc1)-c1ncn(CC(=O)N2CCN(C)CC2)c1-c1ccc(OC)cc1 Show InChI InChI=1S/C24H28N4O3/c1-26-12-14-27(15-13-26)22(29)16-28-17-25-23(18-4-8-20(30-2)9-5-18)24(28)19-6-10-21(31-3)11-7-19/h4-11,17H,12-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beni-Suef University Curated by ChEMBL					Assay Description Inhibition of ovine COX-1 assessed as reduction in oxidation of TMPD using arachidonic acid as substrate preincubated for 5 mins followed by substrat...				Bioorg Med Chem 25: 665-676 (2017) Article DOI: 10.1016/j.bmc.2016.11.037 BindingDB Entry DOI: 10.7270/Q2542QKM
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50565492 (CHEMBL4794910) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)NCCCCCCCCCCC(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human sEH using epoxy flour 7 as substrate measured after 30 mins by cell-based fluorescence assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112662 BindingDB Entry DOI: 10.7270/Q2B85CWK
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129579 (2,5-Dihydroxy-3-[7-(2-methyl-benzyl)-1H-indol-3-yl...) Show SMILES Cc1ccccc1Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O Show InChI InChI=1S/C22H17NO4/c1-12-5-2-3-6-13(12)9-14-7-4-8-15-16(11-23-20(14)15)19-21(26)17(24)10-18(25)22(19)27/h2-8,11,19,23H,9-10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 3 (Homo sapiens (Human))	BDBM50129576 (2,5-Dihydroxy-3-[7-(3,7,11-trimethyl-dodeca-2,6,10...) Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-9.11,4.99,;-7.6,4.77,;-6.64,5.99,;-7.04,3.33,;-5.51,3.1,;-4.95,1.67,;-3.42,1.44,;-2.47,2.65,;-2.86,.02,;-1.35,-.22,;-.77,-1.66,;.75,-1.87,;1.31,-3.32,;1.71,-.68,;3.23,-.91,;4.18,.3,;3.62,1.73,;4.58,2.93,;6.11,2.7,;6.67,1.26,;8.1,.72,;8.03,-.82,;6.56,-1.21,;5.72,.06,;9.43,1.51,;9.4,3.06,;8.03,3.83,;10.72,3.84,;10.69,5.38,;12.07,3.1,;12.09,1.54,;13.46,.77,;10.76,.76,;10.79,-.78,)| Show InChI InChI=1S/C29H33NO4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-21-12-7-13-22-23(17-30-27(21)22)26-28(33)24(31)16-25(32)29(26)34/h7-8,10,12-14,17,26,30H,5-6,9,11,15-16H2,1-4H3/b19-10+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Eight point inhibitory concentration against Cell division cycle 25 degree C was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair
M-phase inducer phosphatase 2 (Homo sapiens (Human))	BDBM50129574 (2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...) Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)| Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3	PDB MMDB 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	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibitory concentration of compound against mutant M532A of Cell division cycle 25B was determined				J Med Chem 46: 2580-8 (2003) Article DOI: 10.1021/jm0300835 BindingDB Entry DOI: 10.7270/Q2RJ4HVW
					More data for this Ligand-Target Pair

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