BDBM50543401 CHEMBL4644092
SMILES: Oc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12
InChI Key: InChIKey=QCQCGUXVKSMDJY-UHFFFAOYSA-N
Data: 6 IC50
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)) | BDBM50543401 (CHEMBL4644092) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 6.50E+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)) | BDBM50543401 (CHEMBL4644092) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid 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)) | BDBM50543401 (CHEMBL4644092) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 440 | 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)) | BDBM50543401 (CHEMBL4644092) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 6.00E+3 | 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 | |||||||||||||
Aldo-keto-reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50543401 (CHEMBL4644092) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | PubMed | n/a | n/a | 25 | 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 | |||||||||||||
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human)) | BDBM50543401 (CHEMBL4644092) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid 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 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 |