Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50002744 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 |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50462392
(CHEMBL4248154)Show SMILES Oc1nnn(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H12F6N4O3/c19-17(20,21)11-2-1-3-12(8-11)25-15(29)14-16(30)26-27-28(14)9-10-4-6-13(7-5-10)31-18(22,23)24/h1-8,30H,9H2,(H,25,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50462395
(CHEMBL4238437)Show SMILES Oc1noc2cccc(Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c12 Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-10-2-1-3-11-12(10)13(24)23-25-11/h1-6,22H,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50462394
(CHEMBL4249650)Show InChI InChI=1S/C13H9F5N2O2S/c14-23(15,16,17,18)9-4-1-3-8(7-9)19-10-5-2-6-11-12(10)13(21)20-22-11/h1-7,19H,(H,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50277998
(CHEMBL4174786)Show SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H15F3N4O3/c1-28-14-7-5-11(6-8-14)10-25-15(17(27)23-24-25)16(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-9,27H,10H2,1H3,(H,22,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50462391
(CHEMBL4238142)Show SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1OC Show InChI InChI=1S/C19H17F3N4O4/c1-29-14-7-6-11(8-15(14)30-2)10-26-16(18(28)24-25-26)17(27)23-13-5-3-4-12(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM17636
(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
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
| PDB Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50462397
(CHEMBL4245231)Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-3-1-4-9(7-8)18-10-5-2-6-11-12(10)13(20)19-21-11/h1-7,18H,(H,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50462393
(CHEMBL4249427)Show InChI InChI=1S/C13H9N3O4/c17-13-12-10(5-2-6-11(12)20-15-13)14-8-3-1-4-9(7-8)16(18)19/h1-7,14H,(H,15,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50462396
(CHEMBL4238730)Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-2-1-3-9(6-8)18-10-4-5-12-11(7-10)13(20)19-21-12/h1-7,18H,(H,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50462394
(CHEMBL4249650)Show InChI InChI=1S/C13H9F5N2O2S/c14-23(15,16,17,18)9-4-1-3-8(7-9)19-10-5-2-6-11-12(10)13(21)20-22-11/h1-7,19H,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50462397
(CHEMBL4245231)Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-3-1-4-9(7-8)18-10-5-2-6-11-12(10)13(20)19-21-11/h1-7,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50462393
(CHEMBL4249427)Show InChI InChI=1S/C13H9N3O4/c17-13-12-10(5-2-6-11(12)20-15-13)14-8-3-1-4-9(7-8)16(18)19/h1-7,14H,(H,15,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50462392
(CHEMBL4248154)Show SMILES Oc1nnn(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H12F6N4O3/c19-17(20,21)11-2-1-3-12(8-11)25-15(29)14-16(30)26-27-28(14)9-10-4-6-13(7-5-10)31-18(22,23)24/h1-8,30H,9H2,(H,25,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50462396
(CHEMBL4238730)Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-2-1-3-9(6-8)18-10-4-5-12-11(7-10)13(20)19-21-12/h1-7,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50277998
(CHEMBL4174786)Show SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H15F3N4O3/c1-28-14-7-5-11(6-8-14)10-25-15(17(27)23-24-25)16(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-9,27H,10H2,1H3,(H,22,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50462394
(CHEMBL4249650)Show InChI InChI=1S/C13H9F5N2O2S/c14-23(15,16,17,18)9-4-1-3-8(7-9)19-10-5-2-6-11-12(10)13(21)20-22-11/h1-7,19H,(H,20,21) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50462392
(CHEMBL4248154)Show SMILES Oc1nnn(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H12F6N4O3/c19-17(20,21)11-2-1-3-12(8-11)25-15(29)14-16(30)26-27-28(14)9-10-4-6-13(7-5-10)31-18(22,23)24/h1-8,30H,9H2,(H,25,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50462397
(CHEMBL4245231)Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-3-1-4-9(7-8)18-10-5-2-6-11-12(10)13(20)19-21-11/h1-7,18H,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50462395
(CHEMBL4238437)Show SMILES Oc1noc2cccc(Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c12 Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-10-2-1-3-11-12(10)13(24)23-25-11/h1-6,22H,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50462393
(CHEMBL4249427)Show InChI InChI=1S/C13H9N3O4/c17-13-12-10(5-2-6-11(12)20-15-13)14-8-3-1-4-9(7-8)16(18)19/h1-7,14H,(H,15,17) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Cytochrome c oxidase subunit 2
(Homo sapiens (Human)) | BDBM50462397
(CHEMBL4245231)Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-3-1-4-9(7-8)18-10-5-2-6-11-12(10)13(20)19-21-11/h1-7,18H,(H,19,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Cytochrome c oxidase subunit 2
(Homo sapiens (Human)) | BDBM50462396
(CHEMBL4238730)Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-2-1-3-9(6-8)18-10-4-5-12-11(7-10)13(20)19-21-12/h1-7,18H,(H,19,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Cytochrome c oxidase subunit 2
(Homo sapiens (Human)) | BDBM50462393
(CHEMBL4249427)Show InChI InChI=1S/C13H9N3O4/c17-13-12-10(5-2-6-11(12)20-15-13)14-8-3-1-4-9(7-8)16(18)19/h1-7,14H,(H,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Cytochrome c oxidase subunit 2
(Homo sapiens (Human)) | BDBM50462394
(CHEMBL4249650)Show InChI InChI=1S/C13H9F5N2O2S/c14-23(15,16,17,18)9-4-1-3-8(7-9)19-10-5-2-6-11-12(10)13(21)20-22-11/h1-7,19H,(H,20,21) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Cytochrome c oxidase subunit 2
(Homo sapiens (Human)) | BDBM50462392
(CHEMBL4248154)Show SMILES Oc1nnn(Cc2ccc(OC(F)(F)F)cc2)c1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C18H12F6N4O3/c19-17(20,21)11-2-1-3-12(8-11)25-15(29)14-16(30)26-27-28(14)9-10-4-6-13(7-5-10)31-18(22,23)24/h1-8,30H,9H2,(H,25,29) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50462391
(CHEMBL4238142)Show SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1OC Show InChI InChI=1S/C19H17F3N4O4/c1-29-14-7-6-11(8-15(14)30-2)10-26-16(18(28)24-25-26)17(27)23-13-5-3-4-12(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Cytochrome c oxidase subunit 2
(Homo sapiens (Human)) | BDBM50462391
(CHEMBL4238142)Show SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1OC Show InChI InChI=1S/C19H17F3N4O4/c1-29-14-7-6-11(8-15(14)30-2)10-26-16(18(28)24-25-26)17(27)23-13-5-3-4-12(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,27) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50462396
(CHEMBL4238730)Show InChI InChI=1S/C14H9F3N2O2/c15-14(16,17)8-2-1-3-9(6-8)18-10-4-5-12-11(7-10)13(20)19-21-12/h1-7,18H,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Cytochrome c oxidase subunit 2
(Homo sapiens (Human)) | BDBM50462395
(CHEMBL4238437)Show SMILES Oc1noc2cccc(Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c12 Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-10-2-1-3-11-12(10)13(24)23-25-11/h1-6,22H,(H,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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 |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50462391
(CHEMBL4238142)Show SMILES COc1ccc(Cn2nnc(O)c2C(=O)Nc2cccc(c2)C(F)(F)F)cc1OC Show InChI InChI=1S/C19H17F3N4O4/c1-29-14-7-6-11(8-15(14)30-2)10-26-16(18(28)24-25-26)17(27)23-13-5-3-4-12(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.08E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50462395
(CHEMBL4238437)Show SMILES Oc1noc2cccc(Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c12 Show InChI InChI=1S/C15H8F6N2O2/c16-14(17,18)7-4-8(15(19,20)21)6-9(5-7)22-10-2-1-3-11-12(10)13(24)23-25-11/h1-6,22H,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | |