BDBM50448698 CHEMBL3127864

SMILES: COC[C@@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2

InChI Key: InChIKey=TVQPFMNHVQUFGF-VGKNJCEOSA-N

Data: 3 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 3 hits for monomerid = 50448698   

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))	BDBM50448698 (CHEMBL3127864) Show SMILES COC[C@@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:24.27,wD:17.18,3.3,TLB:16:17:21:23.24.26,27:24:17.18.19:21,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(42.84,-7.77,;44.29,-8.27,;45.45,-7.25,;46.91,-7.75,;47.21,-9.27,;48.07,-6.74,;49.53,-7.24,;49.98,-8.71,;51.52,-8.74,;52.41,-9.99,;52.55,-11.53,;53.81,-10.64,;52.02,-7.28,;50.79,-6.36,;53.35,-6.51,;53.34,-4.97,;54.69,-7.27,;56.02,-6.5,;57.52,-6.11,;57.54,-4.52,;58.6,-3.3,;57.25,-3.75,;57.23,-5.25,;58.55,-5.76,;59.96,-5.44,;61.5,-5.4,;60,-3.91,;58.92,-6.7,)| Show InChI InChI=1S/C21H30N2O4S/c1-11(10-26-2)27-20-23-17(13-3-4-13)18(28-20)19(24)22-16-14-5-12-6-15(16)9-21(25,7-12)8-14/h11-16,25H,3-10H2,1-2H3,(H,22,24)/t11-,12?,14?,15?,16-,21-/m1/s1	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	30	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
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50448698 (CHEMBL3127864) Show SMILES COC[C@@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:24.27,wD:17.18,3.3,TLB:16:17:21:23.24.26,27:24:17.18.19:21,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(42.84,-7.77,;44.29,-8.27,;45.45,-7.25,;46.91,-7.75,;47.21,-9.27,;48.07,-6.74,;49.53,-7.24,;49.98,-8.71,;51.52,-8.74,;52.41,-9.99,;52.55,-11.53,;53.81,-10.64,;52.02,-7.28,;50.79,-6.36,;53.35,-6.51,;53.34,-4.97,;54.69,-7.27,;56.02,-6.5,;57.52,-6.11,;57.54,-4.52,;58.6,-3.3,;57.25,-3.75,;57.23,-5.25,;58.55,-5.76,;59.96,-5.44,;61.5,-5.4,;60,-3.91,;58.92,-6.7,)| Show InChI InChI=1S/C21H30N2O4S/c1-11(10-26-2)27-20-23-17(13-3-4-13)18(28-20)19(24)22-16-14-5-12-6-15(16)9-21(25,7-12)8-14/h11-16,25H,3-10H2,1-2H3,(H,22,24)/t11-,12?,14?,15?,16-,21-/m1/s1	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	14	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))	BDBM50448698 (CHEMBL3127864) Show SMILES COC[C@@H](C)Oc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:24.27,wD:17.18,3.3,TLB:16:17:21:23.24.26,27:24:17.18.19:21,THB:27:18:21:23.24.26,26:24:17:19.20.21,26:20:17:23.27.24,25:24:17:19.20.21,25:24:17.18.19:21,(42.84,-7.77,;44.29,-8.27,;45.45,-7.25,;46.91,-7.75,;47.21,-9.27,;48.07,-6.74,;49.53,-7.24,;49.98,-8.71,;51.52,-8.74,;52.41,-9.99,;52.55,-11.53,;53.81,-10.64,;52.02,-7.28,;50.79,-6.36,;53.35,-6.51,;53.34,-4.97,;54.69,-7.27,;56.02,-6.5,;57.52,-6.11,;57.54,-4.52,;58.6,-3.3,;57.25,-3.75,;57.23,-5.25,;58.55,-5.76,;59.96,-5.44,;61.5,-5.4,;60,-3.91,;58.92,-6.7,)| Show InChI InChI=1S/C21H30N2O4S/c1-11(10-26-2)27-20-23-17(13-3-4-13)18(28-20)19(24)22-16-14-5-12-6-15(16)9-21(25,7-12)8-14/h11-16,25H,3-10H2,1-2H3,(H,22,24)/t11-,12?,14?,15?,16-,21-/m1/s1	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	9	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