BDBM13772 2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R,7S)-5-(1H-1,2,3,4-tetrazol-5-yl)adamantan-2-yl]propanamide::adamantane ether 26
SMILES: CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)c1nnn[nH]1
InChI Key: InChIKey=SDLVFSDWSGBQTI-FEOKCCHMSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM13772 (2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Abbott Laboratories | Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det... | Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human)) | BDBM13772 (2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The in Vitro 11beta-HSD2 dehydrogenase assays were developed using the cell lysates that had the full length human or mouse 11beta-HSD2 cDNA over exp... | Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM13772 (2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 11.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology Curated by ChEMBL | Assay Description Inhibition of 11beta-HSD1 | Bioorg Med Chem Lett 18: 2479-90 (2008) Article DOI: 10.1016/j.bmcl.2008.02.042 BindingDB Entry DOI: 10.7270/Q2QC04Q0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse)) | BDBM13772 (2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description The in Vitro 11beta-HSD2 dehydrogenase assays were developed using the cell lysates that had the full length human or mouse 11beta-HSD2 cDNA over exp... | Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse)) | BDBM13772 (2-(2-chloro-4-fluorophenoxy)-2-methyl-N-[(1R,2S,5R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories | Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det... | Bioorg Med Chem Lett 17: 750-5 (2007) Article DOI: 10.1016/j.bmcl.2006.10.074 BindingDB Entry DOI: 10.7270/Q2W66J13 | |||||||||||
More data for this Ligand-Target Pair |