BDBM50340660 CHEMBL1762210::rac-5,7-difluoro-3-hydroxy-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-one O-ethyl oxime
SMILES: CCO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12
InChI Key: InChIKey=NMIXBOUDRDWICA-OOAXWGSJSA-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)) | BDBM50340660 (CHEMBL1762210 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor expressed in baculovirus | Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Progesterone receptor (Homo sapiens (Human)) | BDBM50340660 (CHEMBL1762210 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | 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 to progesterone receptor | Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen Receptor (Homo sapiens (Human)) | BDBM50340660 (CHEMBL1762210 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 430 | 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 to androgen receptor | Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mineralocorticoid receptor (Homo sapiens (Human)) | BDBM50340660 (CHEMBL1762210 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Binding affinity to mineralocorticoid receptor | Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50340660 (CHEMBL1762210 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) | 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 | 115 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with PEPCK assessed as GRE activation by luciferase reporter gene ass... | Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50340660 (CHEMBL1762210 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) | 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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Transrepression activity at glucocorticoid receptor in human NHDF cells assessed as inhibition of IL-1beta-stimulated AP1 dependent IL-6 repression b... | Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50340660 (CHEMBL1762210 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) | 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 | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Transrepression activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of TNFalpha/IL1beta-stimulated NFkappaB-dependent E-s... | Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucocorticoid receptor (Homo sapiens (Human)) | BDBM50340660 (CHEMBL1762210 | rac-5,7-difluoro-3-hydroxy-2,2-dim...) | 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 | 1.5 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Curated by ChEMBL | Assay Description Agonist activity at glucocorticoid receptor in human HepG2 cells co-transfected with GRE assessed as GRE activation by luciferase reporter gene assay | Bioorg Med Chem Lett 21: 1654-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.104 BindingDB Entry DOI: 10.7270/Q21V5F8D | |||||||||||
More data for this Ligand-Target Pair |