Found 9 hits in this display 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)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University; The Trustees of the University of Pennsylvania
US Patent
| Assay Description Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ... |
US Patent US9346803 (2016)
BindingDB Entry DOI: 10.7270/Q2154FXN |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University; The Trustees of the University of Pennsylvania
US Patent
| Assay Description Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ... |
US Patent US9346803 (2016)
BindingDB Entry DOI: 10.7270/Q2154FXN |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University; The Trustees of the University of Pennsylvania
US Patent
| Assay Description Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ... |
US Patent US9346803 (2016)
BindingDB Entry DOI: 10.7270/Q2154FXN |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University; The Trustees of the University of Pennsylvania
US Patent
| Assay Description Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ... |
US Patent US9346803 (2016)
BindingDB Entry DOI: 10.7270/Q2154FXN |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of COX1 (unknown origin)-mediated oxidation of N,N,N,Ntetramethyl-1,4-phenylenediamine using arachidonic acid as substrate by colorimetric... |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | 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 | 5.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C1-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human)) | BDBM50427625
(CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C4-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol |
J Med Chem 56: 2429-46 (2013)
Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG |
More data for this Ligand-Target Pair | |