Found 2 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)) | BDBM50466730
(CHEMBL4291554)Show SMILES COc1cc(cc(c1O)[N+]([O-])=O)C1c2c(CCC3CCCC3)n[nH]c2OC(N)=C1C#N |c:30| Show InChI InChI=1S/C21H23N5O5/c1-30-16-9-12(8-15(19(16)27)26(28)29)17-13(10-22)20(23)31-21-18(17)14(24-25-21)7-6-11-4-2-3-5-11/h8-9,11,17,27H,2-7,23H2,1H3,(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 237 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence ass... |
Bioorg Med Chem 26: 5934-5943 (2018)
Article DOI: 10.1016/j.bmc.2018.10.044 BindingDB Entry DOI: 10.7270/Q2NV9MZJ |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human)) | BDBM50466730
(CHEMBL4291554)Show SMILES COc1cc(cc(c1O)[N+]([O-])=O)C1c2c(CCC3CCCC3)n[nH]c2OC(N)=C1C#N |c:30| Show InChI InChI=1S/C21H23N5O5/c1-30-16-9-12(8-15(19(16)27)26(28)29)17-13(10-22)20(23)31-21-18(17)14(24-25-21)7-6-11-4-2-3-5-11/h8-9,11,17,27H,2-7,23H2,1H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 433 | n/a | n/a | n/a | n/a | n/a | n/a |
Guangzhou Medical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AKR1C1 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence ass... |
Bioorg Med Chem 26: 5934-5943 (2018)
Article DOI: 10.1016/j.bmc.2018.10.044 BindingDB Entry DOI: 10.7270/Q2NV9MZJ |
More data for this Ligand-Target Pair | |