BDBM107664 US8575157, 48
SMILES: C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccn(C)c(=O)c1
InChI Key: InChIKey=TXNPQZGSVXLGGP-MMTVBGGISA-N
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 |
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11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 1.62 | 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 | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of human ERG | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >5.00E+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 US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >5.00E+4 | 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 US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | >5.00E+4 | 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 2C19-isoenzyme catalysed N-demethylation ... | US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 3.00E+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 of recombinant CYP2C9 by compounds of the invention was measured using a commercial kit from Invitrogen (cat #2859). | US Patent US8575157 (2013) BindingDB Entry DOI: 10.7270/Q2416VPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of CYP2C9 (unknown origin) | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of 11beta-HSD2 (unknown origin) | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Estradiol 17-beta-dehydrogenase 1 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of 17beta-HSD1 (unknown origin) | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pregnane X receptor (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of PXR (unknown origin) | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of recombinant CYP3A4 (unknown origin) | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of 11beta-HSD1 in human omental adipocytes using [3H]cortisone as substrate preincubated for 1 hr followed by substrate addition measured ... | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 (unknown origin) | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type II (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of 3beta-HSD2 (unknown origin) | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase 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 |
Medicinal Chemistry, Vitae Pharmaceuticals, Inc, 502 West Office Center Drive, Fort Washington, PA 19034, United States. Electronic address: linghang_zhuang@yahoo.com. Curated by ChEMBL | Assay Description Inhibition of human 11beta-HSD1 expressed in CHO cell microsomes using [3H]cortisone as substrate preincubated with substrate for 10 mins followed by... | Bioorg Med Chem 25: 3649-3657 (2017) Article DOI: 10.1016/j.bmc.2017.04.033 BindingDB Entry DOI: 10.7270/Q2KS6V0F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM107664 (US8575157, 48) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 5.54 | 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 |