BDBM50330423 4'-tert-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxylic acid::CHEMBL1277740
SMILES: CC(C)(C)c1ccc(cc1)-c1cc(Cl)c(O)c(c1)C(O)=O
InChI Key: InChIKey=NIJIATHYPDAVRD-UHFFFAOYSA-N
Data: 2 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human)) | BDBM50330423 (4'-tert-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Inhibition of human wild type AKR1C1 dehydrogenase activity by fluorometric assay | Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human)) | BDBM50330423 (4'-tert-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus) Curated by ChEMBL | Assay Description Inhibition of human AKR1C2 dehydrogenase activity by fluorometric assay | Eur J Med Chem 45: 5309-17 (2010) Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 | |||||||||||
More data for this Ligand-Target Pair |