BDBM50543399 CHEMBL4648793
SMILES: Cc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1
InChI Key: InChIKey=SKZQOFVKMNLPBF-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50543399 (CHEMBL4648793) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Antagonistic activity at AR in human 22Rv1 cells assessed as reduction in cell number by CCK8 assay | J Med Chem 63: 10396-10411 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C4 (AK1C4) (Homo sapiens (Human)) | BDBM50543399 (CHEMBL4648793) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant AKR1C4 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level | J Med Chem 63: 10396-10411 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonyl reductase [NADPH] 1 (Homo sapiens (Human)) | BDBM50543399 (CHEMBL4648793) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of CBR1 (unknown origin) | J Med Chem 63: 10396-10411 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human)) | BDBM50543399 (CHEMBL4648793) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant AKR1C1 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level | J Med Chem 63: 10396-10411 (2020) | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50543399 (CHEMBL4648793) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant AKR1C3 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level | J Med Chem 63: 10396-10411 (2020) | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human)) | BDBM50543399 (CHEMBL4648793) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant AKR1C2 (unknown origin) assessed as reduction in S-tetralol-induced dehydrogenase activity by measuring NADPH level | J Med Chem 63: 10396-10411 (2020) | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |