Found 12 hits with Last Name = 'zanatta' and Initial = 'sd' 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 |
Estrogen receptor
(RAT) | BDBM50169743
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r| Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.89 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50266017
(5-(3,5-di-tert-butyl-4-hydroxyphenyl)-3H-1,2-dithi...)Show InChI InChI=1S/C17H22OS3/c1-16(2,3)11-7-10(13-9-14(19)21-20-13)8-12(15(11)18)17(4,5)6/h7-9,18H,1-6H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA |
Bioorg Med Chem Lett 19: 459-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of human platelet COX1 assessed as effect on prostaglandin E2 production by ELISA |
Bioorg Med Chem Lett 19: 459-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50266016
(5-(3,5-di-tert-butyl-4-methoxyphenyl)-3H-1,2-dithi...)Show InChI InChI=1S/C18H24OS3/c1-17(2,3)12-8-11(14-10-15(20)22-21-14)9-13(16(12)19-7)18(4,5)6/h8-10H,1-7H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA |
Bioorg Med Chem Lett 19: 459-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM22369
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3 | 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
| PDB Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant COX2 expressed in Sf21 cells assessed as effect on prostaglandin E2 production by ELISA |
Bioorg Med Chem Lett 19: 459-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(RAT) | BDBM50166895
(3-(4-Hydroxy-phenyl)-4H-chromen-7-ol | CHEMBL19556...)Show InChI InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8-9,16-17H,7H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 234 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50419932
(IDRONOXIL)Show InChI InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 661 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50410528
(CHEMBL198877)Show InChI InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50419934
(CHEMBL1957041)Show InChI InChI=1S/C15H14O2/c16-14-7-6-12-8-13(10-17-15(12)9-14)11-4-2-1-3-5-11/h1-7,9,13,16H,8,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50266017
(5-(3,5-di-tert-butyl-4-hydroxyphenyl)-3H-1,2-dithi...)Show InChI InChI=1S/C17H22OS3/c1-16(2,3)11-7-10(13-9-14(19)21-20-13)8-12(15(11)18)17(4,5)6/h7-9,18H,1-6H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of human platelet COX1 assessed as effect on prostaglandin E2 production by ELISA |
Bioorg Med Chem Lett 19: 459-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(RAT) | BDBM50419933
(CHEMBL1957040)Show InChI InChI=1S/C15H14O2/c16-14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-8,13,16H,9-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Melbourne
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor |
Bioorg Med Chem 20: 2353-61 (2012)
Article DOI: 10.1016/j.bmc.2012.02.008 BindingDB Entry DOI: 10.7270/Q2F76DT2 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50266016
(5-(3,5-di-tert-butyl-4-methoxyphenyl)-3H-1,2-dithi...)Show InChI InChI=1S/C18H24OS3/c1-17(2,3)12-8-11(14-10-15(20)22-21-14)9-13(16(12)19-7)18(4,5)6/h8-10H,1-7H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of human platelet COX1 assessed as effect on prostaglandin E2 production by ELISA |
Bioorg Med Chem Lett 19: 459-61 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.045 BindingDB Entry DOI: 10.7270/Q2QZ29T1 |
More data for this Ligand-Target Pair | |