Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50353390'   

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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	0.5	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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	0.510	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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	0.510	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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	0.510	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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	1.5	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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	18.5	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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	18.5	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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	18.5	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))	BDBM50353390 (CHEMBL1829768 | US8575157, 193 | US8592410, Compar...) Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H25F2NO3/c1-18(19-2-4-20(5-3-19)21-6-10-23(27)11-7-21)29-16-14-26(15-17-30,32-25(29)31)22-8-12-24(28)13-9-22/h2-13,18,30H,14-17H2,1H3/t18-,26-/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	19	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