BDBM50390702 CHEMBL2070230

SMILES: CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccc(Cl)cc1

InChI Key: InChIKey=VGKMTBSSNGZXKS-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 = 50390702   

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))	BDBM50390702 (CHEMBL2070230) Show SMILES CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O/c1-21(2,15-5-7-16(22)8-6-15)20(26)25-11-9-14(13-25)18-12-24-19-17(18)4-3-10-23-19/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,23,24)	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	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in mouse 3T3L1 cells assessed as conversion of cortisone to cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50390702 (CHEMBL2070230) Show SMILES CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O/c1-21(2,15-5-7-16(22)8-6-15)20(26)25-11-9-14(13-25)18-12-24-19-17(18)4-3-10-23-19/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,23,24)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50390702 (CHEMBL2070230) Show SMILES CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O/c1-21(2,15-5-7-16(22)8-6-15)20(26)25-11-9-14(13-25)18-12-24-19-17(18)4-3-10-23-19/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,23,24)	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	720	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of 11beta-HSD1 in mouse 3T3L1 cells assessed as conversion of cortisone to cortisol level after 150 mins by HTRF assay				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50390702 (CHEMBL2070230) Show SMILES CC(C)(C(=O)N1CCC(C1)c1c[nH]c2ncccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O/c1-21(2,15-5-7-16(22)8-6-15)20(26)25-11-9-14(13-25)18-12-24-19-17(18)4-3-10-23-19/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,23,24)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck-Serono S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli assessed as conversion of cortisone to cortisol level after 150 mins by HTR...				Bioorg Med Chem Lett 22: 5909-14 (2012) Article DOI: 10.1016/j.bmcl.2012.07.070 BindingDB Entry DOI: 10.7270/Q2Z89DH5
					More data for this Ligand-Target Pair