Compile Data Set for Download or QSAR

Found 10 hits of ic50 for monomerid = 107485   

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))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	0.550	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))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	0.550	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))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	0.550	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))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	13.4	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))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	13.4	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))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	13.4	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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	5.50E+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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	6.30E+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 2C19 (Homo sapiens (Human))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	1.25E+4	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))	BDBM107485 (US8575157, 199 | US8592410, Comparator 11 | US8598...) Show SMILES C[C@H](N1CC[C@@](CCC(N)=O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H27FN2O3/c1-19(20-7-9-21(10-8-20)22-11-13-24(28)14-12-22)30-18-17-27(33-26(30)32,16-15-25(29)31)23-5-3-2-4-6-23/h2-14,19H,15-18H2,1H3,(H2,29,31)/t19-,27+/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	1.41E+4	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