Found 40 hits of Enzyme Inhibition Constant Data 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)) | BDBM50024764
(CHEMBL3337721)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1 Show InChI InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024782
(CHEMBL3337705)Show SMILES Cc1ccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C26H24O5/c1-19-7-9-22(10-8-19)18-30-24-17-21(12-15-25(27)28)11-14-23(24)31-26(29)16-13-20-5-3-2-4-6-20/h2-12,14-15,17H,13,16,18H2,1H3,(H,27,28)/b15-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50384946
(CHEMBL511708)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)ccc1-[#8]-[#6](=O)-[#6]-[#6]-c1ccccc1 Show InChI InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024780
(CHEMBL3337707)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C25H21FO5/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16H,11,14,17H2,(H,27,28)/b13-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024774
(CHEMBL3337711)Show SMILES Cc1ccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2cccc(F)c2)cc1 Show InChI InChI=1S/C26H23FO5/c1-18-5-7-21(8-6-18)17-31-24-16-20(10-13-25(28)29)9-12-23(24)32-26(30)14-11-19-3-2-4-22(27)15-19/h2-10,12-13,15-16H,11,14,17H2,1H3,(H,28,29)/b13-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024778
(CHEMBL3337458)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2ccc(F)cc2)c1 Show InChI InChI=1S/C25H21FO5/c26-21-11-6-20(7-12-21)17-30-23-16-19(9-14-24(27)28)8-13-22(23)31-25(29)15-10-18-4-2-1-3-5-18/h1-9,11-14,16H,10,15,17H2,(H,27,28)/b14-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024781
(CHEMBL3337706)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2ccccc2F)c1 Show InChI InChI=1S/C25H21FO5/c26-21-9-5-4-8-20(21)17-30-23-16-19(11-14-24(27)28)10-13-22(23)31-25(29)15-12-18-6-2-1-3-7-18/h1-11,13-14,16H,12,15,17H2,(H,27,28)/b14-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024777
(CHEMBL3337708)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cc(F)cc(F)c2)c1 Show InChI InChI=1S/C25H20F2O5/c26-20-12-19(13-21(27)15-20)16-31-23-14-18(7-10-24(28)29)6-9-22(23)32-25(30)11-8-17-4-2-1-3-5-17/h1-7,9-10,12-15H,8,11,16H2,(H,28,29)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024783
(CHEMBL3337704)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2ccccc2)c1 Show InChI InChI=1S/C25H22O5/c26-24(27)15-12-20-11-14-22(23(17-20)29-18-21-9-5-2-6-10-21)30-25(28)16-13-19-7-3-1-4-8-19/h1-12,14-15,17H,13,16,18H2,(H,26,27)/b15-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024769
(CHEMBL3337716)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2cccc(F)c2)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C25H20F2O5/c26-20-5-1-3-17(13-20)9-12-25(30)32-22-10-7-18(8-11-24(28)29)15-23(22)31-16-19-4-2-6-21(27)14-19/h1-8,10-11,13-15H,9,12,16H2,(H,28,29)/b11-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024787
(CHEMBL3337700)Show InChI InChI=1S/C22H24O5/c1-2-3-15-26-20-16-18(10-13-21(23)24)9-12-19(20)27-22(25)14-11-17-7-5-4-6-8-17/h4-10,12-13,16H,2-3,11,14-15H2,1H3,(H,23,24)/b13-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024773
(CHEMBL3337712)Show SMILES Cc1ccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H23FO5/c1-18-2-4-21(5-3-18)17-31-24-16-20(9-14-25(28)29)8-13-23(24)32-26(30)15-10-19-6-11-22(27)12-7-19/h2-9,11-14,16H,10,15,17H2,1H3,(H,28,29)/b14-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024768
(CHEMBL3337717)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccc(F)cc2)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C25H20F2O5/c26-20-9-4-17(5-10-20)8-13-25(30)32-22-11-6-18(7-12-24(28)29)15-23(22)31-16-19-2-1-3-21(27)14-19/h1-7,9-12,14-15H,8,13,16H2,(H,28,29)/b12-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024772
(CHEMBL3337713)Show SMILES Cc1ccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2c(F)cc(F)cc2F)cc1 Show InChI InChI=1S/C26H21F3O5/c1-16-2-4-18(5-3-16)15-33-24-12-17(7-10-25(30)31)6-9-23(24)34-26(32)11-8-20-21(28)13-19(27)14-22(20)29/h2-7,9-10,12-14H,8,11,15H2,1H3,(H,30,31)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024786
(CHEMBL3337701)Show SMILES CC(C)COc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1 Show InChI InChI=1S/C22H24O5/c1-16(2)15-26-20-14-18(9-12-21(23)24)8-11-19(20)27-22(25)13-10-17-6-4-3-5-7-17/h3-9,11-12,14,16H,10,13,15H2,1-2H3,(H,23,24)/b12-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024775
(CHEMBL3337710)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCCc2ccccc2)c1 Show InChI InChI=1S/C26H24O5/c27-25(28)15-12-22-11-14-23(31-26(29)16-13-20-7-3-1-4-8-20)24(19-22)30-18-17-21-9-5-2-6-10-21/h1-12,14-15,19H,13,16-18H2,(H,27,28)/b15-12+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024767
(CHEMBL3337718)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2c(F)cc(F)cc2F)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C25H18F4O5/c26-17-3-1-2-16(10-17)14-33-23-11-15(5-8-24(30)31)4-7-22(23)34-25(32)9-6-19-20(28)12-18(27)13-21(19)29/h1-5,7-8,10-13H,6,9,14H2,(H,30,31)/b8-5+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024771
(CHEMBL3337714)Show SMILES Cc1ccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2ccc(O)cc2)cc1 Show InChI InChI=1S/C26H24O6/c1-18-2-4-21(5-3-18)17-31-24-16-20(9-14-25(28)29)8-13-23(24)32-26(30)15-10-19-6-11-22(27)12-7-19/h2-9,11-14,16,27H,10,15,17H2,1H3,(H,28,29)/b14-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024766
(CHEMBL3337719)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2cccc(O)c2)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C25H21FO6/c26-20-5-1-4-19(13-20)16-31-23-15-18(8-11-24(28)29)7-10-22(23)32-25(30)12-9-17-3-2-6-21(27)14-17/h1-8,10-11,13-15,27H,9,12,16H2,(H,28,29)/b11-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024765
(CHEMBL3337720)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccc(O)cc2)c(OCc2cccc(F)c2)c1 Show InChI InChI=1S/C25H21FO6/c26-20-3-1-2-19(14-20)16-31-23-15-18(7-12-24(28)29)6-11-22(23)32-25(30)13-8-17-4-9-21(27)10-5-17/h1-7,9-12,14-15,27H,8,13,16H2,(H,28,29)/b12-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024784
(CHEMBL3337703)Show SMILES CC(=C)COc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1 Show InChI InChI=1S/C22H22O5/c1-16(2)15-26-20-14-18(9-12-21(23)24)8-11-19(20)27-22(25)13-10-17-6-4-3-5-7-17/h3-9,11-12,14H,1,10,13,15H2,2H3,(H,23,24)/b12-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024776
(CHEMBL3337709)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C25H21ClO5/c26-21-11-6-20(7-12-21)17-30-23-16-19(9-14-24(27)28)8-13-22(23)31-25(29)15-10-18-4-2-1-3-5-18/h1-9,11-14,16H,10,15,17H2,(H,27,28)/b14-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024770
(CHEMBL3337715)Show SMILES Cc1ccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2cccc(O)c2)cc1 Show InChI InChI=1S/C26H24O6/c1-18-5-7-21(8-6-18)17-31-24-16-20(10-13-25(28)29)9-12-23(24)32-26(30)14-11-19-3-2-4-22(27)15-19/h2-10,12-13,15-16,27H,11,14,17H2,1H3,(H,28,29)/b13-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024763
(CHEMBL3337722)Show SMILES COc1cccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C26H24O6/c1-30-22-9-5-8-21(16-22)18-31-24-17-20(11-14-25(27)28)10-13-23(24)32-26(29)15-12-19-6-3-2-4-7-19/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,27,28)/b14-11+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024793
(CHEMBL3337697)Show InChI InChI=1S/C20H20O5/c1-2-24-18-14-16(9-12-19(21)22)8-11-17(18)25-20(23)13-10-15-6-4-3-5-7-15/h3-9,11-12,14H,2,10,13H2,1H3,(H,21,22)/b12-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024785
(CHEMBL3337702)Show SMILES C\C=C\COc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1 Show InChI InChI=1S/C22H22O5/c1-2-3-15-26-20-16-18(10-13-21(23)24)9-12-19(20)27-22(25)14-11-17-7-5-4-6-8-17/h2-10,12-13,16H,11,14-15H2,1H3,(H,23,24)/b3-2+,13-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024789
(CHEMBL3337698)Show InChI InChI=1S/C21H22O5/c1-2-14-25-19-15-17(9-12-20(22)23)8-11-18(19)26-21(24)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,2,10,13-14H2,1H3,(H,22,23)/b12-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024788
(CHEMBL3337699)Show SMILES CC(C)Oc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1 Show InChI InChI=1S/C21H22O5/c1-15(2)25-19-14-17(9-12-20(22)23)8-11-18(19)26-21(24)13-10-16-6-4-3-5-7-16/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,22,23)/b12-9+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024796
(CHEMBL3337696)Show InChI InChI=1S/C19H18O5/c1-23-17-13-15(8-11-18(20)21)7-10-16(17)24-19(22)12-9-14-5-3-2-4-6-14/h2-8,10-11,13H,9,12H2,1H3,(H,20,21)/b11-8+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50024764
(CHEMBL3337721)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1 Show InChI InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3-mediated androsterone metabolism in human A549 cells assessed as 5alpha-androstane-3alpha, 17beta-diol after 24 hrs by LC/MS ana... |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human)) | BDBM50024764
(CHEMBL3337721)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1 Show InChI InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C4 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50384946
(CHEMBL511708)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)ccc1-[#8]-[#6](=O)-[#6]-[#6]-c1ccccc1 Show InChI InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C3-mediated androsterone metabolism in human A549 cells assessed as 5alpha-androstane-3alpha, 17beta-diol after 24 hrs by LC/MS ana... |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM50024764
(CHEMBL3337721)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1 Show InChI InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+ | 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 | 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C1 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50024763
(CHEMBL3337722)Show SMILES COc1cccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C26H24O6/c1-30-22-9-5-8-21(16-22)18-31-24-17-20(11-14-25(27)28)10-13-23(24)32-26(29)15-12-19-6-3-2-4-7-19/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,27,28)/b14-11+ | 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 |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C2 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human)) | BDBM50024763
(CHEMBL3337722)Show SMILES COc1cccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C26H24O6/c1-30-22-9-5-8-21(16-22)18-31-24-17-20(11-14-25(27)28)10-13-23(24)32-26(29)15-12-19-6-3-2-4-7-19/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,27,28)/b14-11+ | 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 |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C4 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM50024763
(CHEMBL3337722)Show SMILES COc1cccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2ccccc2)c1 Show InChI InChI=1S/C26H24O6/c1-30-22-9-5-8-21(16-22)18-31-24-17-20(11-14-25(27)28)10-13-23(24)32-26(29)15-12-19-6-3-2-4-7-19/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,27,28)/b14-11+ | 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 |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C1 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50024764
(CHEMBL3337721)Show SMILES OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1 Show InChI InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+ | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C2 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM50384946
(CHEMBL511708)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)ccc1-[#8]-[#6](=O)-[#6]-[#6]-c1ccccc1 Show InChI InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C1 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50384946
(CHEMBL511708)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)ccc1-[#8]-[#6](=O)-[#6]-[#6]-c1ccccc1 Show InChI InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C2 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human)) | BDBM50384946
(CHEMBL511708)Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)ccc1-[#8]-[#6](=O)-[#6]-[#6]-c1ccccc1 Show InChI InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of AKR1C4 (unknown origin) assessed as dehydrogenase activity of enzyme by NADPH fluorescence assay |
Bioorg Med Chem 22: 5220-33 (2014)
Article DOI: 10.1016/j.bmc.2014.08.007
BindingDB Entry DOI: 10.7270/Q28P623F |
More data for this
Ligand-Target Pair | |
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