BDBM50174294 CHEMBL200876::methyl 4-(5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)bicyclo[2.2.2]octane-1-carboxylate

SMILES: COC(=O)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12

InChI Key: InChIKey=IZAFVIFMEVBOTI-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50174294   

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 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50174294 (CHEMBL200876 | methyl 4-(5,6,7,8,9,10-hexahydro-[1...) Show SMILES COC(=O)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C18H27N3O2/c1-23-16(22)18-10-7-17(8-11-18,9-12-18)15-20-19-14-6-4-2-3-5-13-21(14)15/h2-13H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against mouse 11beta-HSD2				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50174294 (CHEMBL200876 | methyl 4-(5,6,7,8,9,10-hexahydro-[1...) Show SMILES COC(=O)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C18H27N3O2/c1-23-16(22)18-10-7-17(8-11-18,9-12-18)15-20-19-14-6-4-2-3-5-13-21(14)15/h2-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against human 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50174294 (CHEMBL200876 | methyl 4-(5,6,7,8,9,10-hexahydro-[1...) Show SMILES COC(=O)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C18H27N3O2/c1-23-16(22)18-10-7-17(8-11-18,9-12-18)15-20-19-14-6-4-2-3-5-13-21(14)15/h2-13H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 Inhibitory activity against human 11beta-HSD2				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50174294 (CHEMBL200876 | methyl 4-(5,6,7,8,9,10-hexahydro-[1...) Show SMILES COC(=O)C12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C18H27N3O2/c1-23-16(22)18-10-7-17(8-11-18,9-12-18)15-20-19-14-6-4-2-3-5-13-21(14)15/h2-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibitory activity against mouse 11beta-HSD1				Bioorg Med Chem Lett 15: 5266-9 (2005) Article DOI: 10.1016/j.bmcl.2005.08.052 BindingDB Entry DOI: 10.7270/Q2QC031M
					More data for this Ligand-Target Pair