BDBM50340796 CHEMBL1760687::N-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)isoxazole-5-carboxamide
SMILES: Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(NC(=O)c2ccno2)cc1
InChI Key: InChIKey=GYGISWPQEUFTKD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM50340796 (CHEMBL1760687 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting | Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse)) | BDBM50340796 (CHEMBL1760687 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting | Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse)) | BDBM50340796 (CHEMBL1760687 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Inhibition of mouse 11beta-HSD2 | Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human)) | BDBM50340796 (CHEMBL1760687 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Inhibition of human 11beta-HSD2 | Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM50340796 (CHEMBL1760687 | N-(4-(5-(1-(4-chlorophenyl)cyclobu...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Agonist activity at PXR | Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN | |||||||||||
More data for this Ligand-Target Pair |