BDBM50063127 8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one::CHEMBL6874
SMILES: CC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
InChI Key: InChIKey=LCTXHPZYTFNYEN-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)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of human androgen receptor | J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity for human androgen receptor in transiently-transfected COS-1 cells. | J Med Chem 41: 623-39 (1998) Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity towards human androgen receptor (hAR), using dihydrotestosterone as radioligand for competitive binding assay | Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity for human androgen receptor transfected into mammalian COS-1 cells | Bioorg Med Chem Lett 10: 411-4 (2000) BindingDB Entry DOI: 10.7270/Q2K073HH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of human androgen receptor | J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Agonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines | Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Antagonistic activity against human progesterone receptor B (hPR-B) in co-transfected CV-1 cells. | J Med Chem 41: 623-39 (1998) Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory concentration against human androgen receptor (AR) dependent transcriptional activity in cotransfected mammalian CV-1 cells | Bioorg Med Chem Lett 10: 411-4 (2000) BindingDB Entry DOI: 10.7270/Q2K073HH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Antagonistic activity against human androgen receptor (hAR) expressed in CV-1 cell lines | Bioorg Med Chem Lett 9: 1009-12 (1999) BindingDB Entry DOI: 10.7270/Q2F18XWV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50063127 (8,8-Dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Antagonistic activity against human androgen receptor (hAR) in co-transfected CV-1 cells. | J Med Chem 41: 623-39 (1998) Article DOI: 10.1021/jm970699s BindingDB Entry DOI: 10.7270/Q2VM4CZ6 | |||||||||||
More data for this Ligand-Target Pair |