BDBM50188389 CHEMBL210465::N-(3,4-dimethoxyphenethyl)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide

SMILES: COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC

InChI Key: InChIKey=WKJZKNFGZORWFP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50188389   

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))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse intact 3T3 L1 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11-beta-HSD1 transfected in intact HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 11-beta-HSD1-dependent cortisone conversion to cortisol in mouse intact C2C12 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 11betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM50188389 (CHEMBL210465 | N-(3,4-dimethoxyphenethyl)-4,7,7-tr...) Show SMILES COc1ccc(CCNC(=O)C23CCC(C)(C(=O)C2=O)C3(C)C)cc1OC Show InChI InChI=1S/C21H27NO5/c1-19(2)20(3)9-10-21(19,17(24)16(20)23)18(25)22-11-8-13-6-7-14(26-4)15(12-13)27-5/h6-7,12H,8-11H2,1-5H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells				J Med Chem 49: 3454-66 (2006) Article DOI: 10.1021/jm0600794 BindingDB Entry DOI: 10.7270/Q2PN958F
					More data for this Ligand-Target Pair