BDBM50174285 3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine::CHEMBL200513

SMILES: CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12

InChI Key: InChIKey=HISKJZZJMYSEGO-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50174285   

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 (Mus musculus (mouse))	BDBM50174285 (3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	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-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 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50174285 (3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+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))	BDBM50174285 (3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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 1 (Homo sapiens (Human))	BDBM50174285 (3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories 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 proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50174285 (3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50174285 (3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD2 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisol to [3H]-cortisone by scintillation proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50174285 (3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories 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 proximity assay				Bioorg Med Chem Lett 21: 2568-72 (2011) Article DOI: 10.1016/j.bmcl.2011.01.018 BindingDB Entry DOI: 10.7270/Q2QJ7HMK
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50174285 (3-(4-pentylbicyclo[2.2.2]octan-1-yl)-5,6,7,8,9,10-...) Show SMILES CCCCCC12CCC(CC1)(CC2)c1nnc2CCCCCCn12 Show InChI InChI=1S/C21H35N3/c1-2-3-7-10-20-11-14-21(15-12-20,16-13-20)19-23-22-18-9-6-4-5-8-17-24(18)19/h2-17H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	183	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