BDBM50249196 (15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide::CHEMBL473801
SMILES: C[C@]1(CC2(C#N)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1
InChI Key: InChIKey=KNTPSJWEFWVLCP-NFOQDIRWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50249196 ((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Displacement of FITC-dexamethasone from human recombinant glucocorticoid receptor alpha by fluorescence polarization assay | Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50249196 ((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Displacement of radioligand from progesterone receptor by fluorescence polarization assay | Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50249196 ((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Displacement of radioligand from androgen receptor by fluorescence polarization assay | Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estrogen receptor (Homo sapiens (Human)) | BDBM50249196 ((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Displacement of radioligand from estrogen receptor alpha by fluorescence polarization assay | Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50249196 ((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 19.4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Transrepression activity at GR in IL-1-beta-stimulated human A549 cells assessed as inhibition of NF-kappaB-dependent E-selectin transcription by luc... | Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50249196 ((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 243 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Transrepression activity at GR in PMA-stimulated human A549 cells assessed as inhibition of AP1 response element-induced luciferase reporter gene act... | Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50249196 ((15R)-8-cyano-15-methyl-N-(1,3-thiazol-2-yl)tetrac...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Agonist activity at GR ligand binding domain expressed in human NP1 cells assessed as glucocorticoid response element transactivation by GAL4 lucifer... | Bioorg Med Chem Lett 19: 2139-43 (2009) Article DOI: 10.1016/j.bmcl.2009.03.006 BindingDB Entry DOI: 10.7270/Q2XW4KRC | |||||||||||
More data for this Ligand-Target Pair |