Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50353387'   

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))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...				US Patent US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	7.4	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...				US Patent US8598163 (2013) BindingDB Entry DOI: 10.7270/Q29K48WR
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]cortisone to [3H]cortisol after 1 hr by scintillation proximity...				J Med Chem 54: 6050-62 (2011) Article DOI: 10.1021/jm2005354 BindingDB Entry DOI: 10.7270/Q2P26ZH3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of 11 beta-HSD1 in differentiated human adipocytes assessed as conversion of [3H]-cortisone to [3H]-cortisol after 10 mins by HPLC				J Med Chem 54: 6050-62 (2011) Article DOI: 10.1021/jm2005354 BindingDB Entry DOI: 10.7270/Q2P26ZH3
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	41.9	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH US Patent					Assay Description Inhibition assay using 11β-HSD1 in the presence of 50% human plasma.				US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	41.9	n/a	n/a	n/a	n/a	7.4	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...				US Patent US8598163 (2013) BindingDB Entry DOI: 10.7270/Q29K48WR
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	41.9	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description The inhibition assay using 11β-HSD1.				US Patent US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50353387 (CHEMBL1829777 | US8575157, 195 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r| Show InChI InChI=1S/C27H25F3N2O3/c1-17(18-2-4-19(5-3-18)23-11-10-22(29)16-24(23)30)32-15-14-27(35-26(32)34,13-12-25(31)33)20-6-8-21(28)9-7-20/h2-11,16-17H,12-15H2,1H3,(H2,31,33)/t17-,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human 11 beta-HSD1 expressed in CHO cells assessed as conversion of [3H]-cortisone to [3H]-cortisol after 1 hr by scintillation proximi...				J Med Chem 54: 6050-62 (2011) Article DOI: 10.1021/jm2005354 BindingDB Entry DOI: 10.7270/Q2P26ZH3
					More data for this Ligand-Target Pair