Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 107489   

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))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.790	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))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.790	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))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.790	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))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.94	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))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.94	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))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.94	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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<400	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C19-isoenzyme catalysed N-demethylation ...				US Patent US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	37
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description The assay was based on a method published by Moody et al. (Xenobiotica 1999). The inhibition of cytochrome P450 3A4-isoenzyme catalysed N-demethylati...				US Patent US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	37
Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH US Patent					Assay Description Using a procedure similar to that described in Biological Test Example 6, the inhibition of cytochrome P450 2C9-isoenzyme catalysed O-demethylation o...				US Patent US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM107489 (US8575157, 203 | US8592410, Comparator 15 | US8598...) Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C22H26BrNO3/c1-16(17-9-11-19(23)12-10-17)24-14-13-22(27-20(24)25,15-21(2,3)26)18-7-5-4-6-8-18/h4-12,16,26H,13-15H2,1-3H3/t16-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.50E+3	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 recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859).				US Patent US8592410 (2013) BindingDB Entry DOI: 10.7270/Q2CF9NRN
					More data for this Ligand-Target Pair