Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50448702'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50448702 (CHEMBL3127860) Show SMILES CCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(18.99,-53.98,;20.45,-54.48,;21.61,-53.47,;23.07,-53.97,;23.52,-55.44,;25.06,-55.47,;25.95,-56.72,;26.09,-58.25,;27.35,-57.37,;25.56,-54.01,;24.33,-53.09,;26.89,-53.23,;26.88,-51.69,;28.23,-54,;29.56,-53.22,;31.06,-52.84,;31.08,-51.25,;32.14,-50.03,;30.79,-50.48,;30.77,-51.97,;32.09,-52.49,;33.5,-52.16,;35.04,-52.13,;33.53,-50.63,;32.46,-53.42,)| Show InChI InChI=1S/C19H26N2O3S/c1-2-24-18-21-15(11-3-4-11)16(25-18)17(22)20-14-12-5-10-6-13(14)9-19(23,7-10)8-12/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,12?,13?,14-,19-	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	1.70	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 (Homo sapiens (Human))	BDBM50448702 (CHEMBL3127860) Show SMILES CCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(18.99,-53.98,;20.45,-54.48,;21.61,-53.47,;23.07,-53.97,;23.52,-55.44,;25.06,-55.47,;25.95,-56.72,;26.09,-58.25,;27.35,-57.37,;25.56,-54.01,;24.33,-53.09,;26.89,-53.23,;26.88,-51.69,;28.23,-54,;29.56,-53.22,;31.06,-52.84,;31.08,-51.25,;32.14,-50.03,;30.79,-50.48,;30.77,-51.97,;32.09,-52.49,;33.5,-52.16,;35.04,-52.13,;33.53,-50.63,;32.46,-53.42,)| Show InChI InChI=1S/C19H26N2O3S/c1-2-24-18-21-15(11-3-4-11)16(25-18)17(22)20-14-12-5-10-6-13(14)9-19(23,7-10)8-12/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,12?,13?,14-,19-	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
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50448702 (CHEMBL3127860) Show SMILES CCOc1nc(C2CC2)c(s1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:21.24,wD:14.15,TLB:13:14:18:20.21.23,24:21:14.15.16:18,THB:24:15:18:20.21.23,23:21:14:16.17.18,23:17:14:20.24.21,22:21:14:16.17.18,22:21:14.15.16:18,(18.99,-53.98,;20.45,-54.48,;21.61,-53.47,;23.07,-53.97,;23.52,-55.44,;25.06,-55.47,;25.95,-56.72,;26.09,-58.25,;27.35,-57.37,;25.56,-54.01,;24.33,-53.09,;26.89,-53.23,;26.88,-51.69,;28.23,-54,;29.56,-53.22,;31.06,-52.84,;31.08,-51.25,;32.14,-50.03,;30.79,-50.48,;30.77,-51.97,;32.09,-52.49,;33.5,-52.16,;35.04,-52.13,;33.53,-50.63,;32.46,-53.42,)| Show InChI InChI=1S/C19H26N2O3S/c1-2-24-18-21-15(11-3-4-11)16(25-18)17(22)20-14-12-5-10-6-13(14)9-19(23,7-10)8-12/h10-14,23H,2-9H2,1H3,(H,20,22)/t10?,12?,13?,14-,19-	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	34	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