null

SMILES: O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2

InChI Key: InChIKey=CWEPPYUBHMHVTJ-WSXVDWDSSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50448731   

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))	BDBM50448731 (CHEMBL3127868) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:25:26.1.2,6:1:7.5.4:25,THB:6:5:25:26.1.2,2:1:7:4.3.25,2:3:7:26.6.1,0:1:7:4.3.25,0:1:7.5.4:25,(19.29,-27.92,;17.75,-27.95,;17.79,-26.42,;16.4,-25.82,;15.34,-27.03,;15.31,-28.62,;16.72,-29.21,;13.81,-29.01,;12.48,-29.79,;11.15,-29.02,;11.14,-27.48,;9.82,-29.8,;8.59,-28.87,;7.33,-29.76,;5.87,-29.26,;4.71,-30.27,;3.25,-29.77,;2.23,-28.61,;1.73,-30.06,;7.78,-31.23,;9.32,-31.26,;10.21,-32.51,;10.34,-34.04,;11.6,-33.16,;15.03,-27.76,;15.04,-26.27,;16.35,-28.27,)| Show InChI InChI=1S/C21H28N2O3S/c24-19(22-16-14-5-12-6-15(16)9-21(25,7-12)8-14)18-17(13-3-4-13)23-20(27-18)26-10-11-1-2-11/h11-16,25H,1-10H2,(H,22,24)/t12?,14?,15?,16-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human 11beta-HSD1 using cortisone/[3H]-cortisone as substrate after 5 hrs by reverse-phase HPLC analysis				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50448731 (CHEMBL3127868) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:25:26.1.2,6:1:7.5.4:25,THB:6:5:25:26.1.2,2:1:7:4.3.25,2:3:7:26.6.1,0:1:7:4.3.25,0:1:7.5.4:25,(19.29,-27.92,;17.75,-27.95,;17.79,-26.42,;16.4,-25.82,;15.34,-27.03,;15.31,-28.62,;16.72,-29.21,;13.81,-29.01,;12.48,-29.79,;11.15,-29.02,;11.14,-27.48,;9.82,-29.8,;8.59,-28.87,;7.33,-29.76,;5.87,-29.26,;4.71,-30.27,;3.25,-29.77,;2.23,-28.61,;1.73,-30.06,;7.78,-31.23,;9.32,-31.26,;10.21,-32.51,;10.34,-34.04,;11.6,-33.16,;15.03,-27.76,;15.04,-26.27,;16.35,-28.27,)| Show InChI InChI=1S/C21H28N2O3S/c24-19(22-16-14-5-12-6-15(16)9-21(25,7-12)8-14)18-17(13-3-4-13)23-20(27-18)26-10-11-1-2-11/h11-16,25H,1-10H2,(H,22,24)/t12?,14?,15?,16-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6-His-tagged full-length mouse 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50448731 (CHEMBL3127868) Show SMILES O[C@@]12CC3CC(C1)[C@H](NC(=O)c1sc(OCC4CC4)nc1C1CC1)C(C3)C2 |r,wU:1.0,wD:7.8,TLB:8:7:25:26.1.2,6:1:7.5.4:25,THB:6:5:25:26.1.2,2:1:7:4.3.25,2:3:7:26.6.1,0:1:7:4.3.25,0:1:7.5.4:25,(19.29,-27.92,;17.75,-27.95,;17.79,-26.42,;16.4,-25.82,;15.34,-27.03,;15.31,-28.62,;16.72,-29.21,;13.81,-29.01,;12.48,-29.79,;11.15,-29.02,;11.14,-27.48,;9.82,-29.8,;8.59,-28.87,;7.33,-29.76,;5.87,-29.26,;4.71,-30.27,;3.25,-29.77,;2.23,-28.61,;1.73,-30.06,;7.78,-31.23,;9.32,-31.26,;10.21,-32.51,;10.34,-34.04,;11.6,-33.16,;15.03,-27.76,;15.04,-26.27,;16.35,-28.27,)| Show InChI InChI=1S/C21H28N2O3S/c24-19(22-16-14-5-12-6-15(16)9-21(25,7-12)8-14)18-17(13-3-4-13)23-20(27-18)26-10-11-1-2-11/h11-16,25H,1-10H2,(H,22,24)/t12?,14?,15?,16-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal 6-His-tagged full-length human 11beta-HSD1 assessed as conversion of cortisone to cortisol after 25 mins by competitive HTRF...				J Med Chem 57: 970-86 (2014) Article DOI: 10.1021/jm4016729 BindingDB Entry DOI: 10.7270/Q2Z32149
					More data for this Ligand-Target Pair