Found 5 hits with Last Name = 'urwyler' and Initial = 'h' 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 |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50305505
(CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1...)Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)| Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17- | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
Bioorg Med Chem Lett 20: 563-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.088 BindingDB Entry DOI: 10.7270/Q2RJ4JKQ |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50201426
(dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-c...)Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |w:14.15,16.18,12.14,19.21,wU:10.10,5.8,2.1,TLB:17:12:15.16.18:20,THB:11:10:15.16.18:20,9:10:15.16.18:20,10:12:15:18.19.20,10:19:15:13.17.12,TEB:17:16:20:13.12.10,18:19:13:15.16.17,(13.45,-13.89,;13.42,-12.35,;12.07,-11.6,;10.75,-12.4,;9.41,-11.66,;9.37,-10.12,;10.69,-9.32,;12.04,-10.06,;9.17,-8.58,;7.66,-8.3,;6.92,-9.66,;7.98,-10.78,;5.82,-10.73,;4.59,-9.98,;4.01,-8.7,;2.26,-8.74,;3.61,-9.51,;4.2,-10.91,;4.73,-8.39,;6.34,-8.26,;5.06,-7.64,)| Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of hERG by patch clamp assay |
Bioorg Med Chem Lett 17: 1260-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.007 BindingDB Entry DOI: 10.7270/Q2N017B8 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50201425
(2-({dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1...)Show SMILES NC(=O)CNC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |w:18.19,20.22,16.18,23.25,wU:14.14,9.12,6.5,TLB:21:16:19.20.22:24,THB:15:14:19.20.22:24,13:14:19.20.22:24,14:16:19:22.23.24,14:23:19:17.21.16,TEB:21:20:24:17.16.14,22:23:17:19.20.21,(25.77,-11.15,;27.09,-10.36,;28.44,-11.11,;27.07,-8.82,;25.73,-8.06,;25.71,-6.52,;24.36,-5.77,;23.04,-6.56,;21.7,-5.81,;21.68,-4.27,;23,-3.47,;24.34,-4.23,;21.49,-2.73,;19.98,-2.44,;19.23,-3.79,;20.28,-4.92,;18.12,-4.85,;16.9,-4.09,;16.32,-2.81,;14.58,-2.84,;15.92,-3.62,;16.5,-5.02,;17.05,-2.51,;18.66,-2.39,;17.38,-1.76,)| Show InChI InChI=1S/C19H30N2O4/c20-17(22)11-21-10-12-1-3-18(4-2-12)23-19(25-24-18)15-6-13-5-14(8-15)9-16(19)7-13/h12-16,21H,1-11H2,(H2,20,22)/t12-,13?,14?,15?,16?,18+,19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of hERG by patch clamp assay |
Bioorg Med Chem Lett 17: 1260-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.007 BindingDB Entry DOI: 10.7270/Q2N017B8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50305505
(CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1...)Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)| Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17- | 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 | 9.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 563-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.088 BindingDB Entry DOI: 10.7270/Q2RJ4JKQ |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50305505
(CHEMBL227855 | OZ-209 | dispiro[adamantane-2,2'-[1...)Show SMILES NC[C@H]1CC[C@]2(CC1)OO[C@@]1(O2)C2CC3CC(C2)CC1C3 |r,wU:10.10,2.1,wD:5.12,TLB:20:19:15.14.13:17,11:10:16.17.18:14.13.20,9:10:15.14.13:17,THB:20:14:17:10.18.19,11:10:15.14.13:17,9:10:16.17.18:14.13.20,15:14:10:16.17.18,15:16:10:14.13.20,(42.83,-6.44,;42.06,-5.09,;40.52,-5.09,;39.74,-6.41,;38.21,-6.41,;37.44,-5.07,;38.21,-3.74,;39.75,-3.75,;36.96,-3.61,;35.42,-3.62,;34.95,-5.09,;36.2,-5.99,;33.79,-6.1,;32.6,-5.28,;32.09,-3.96,;30.33,-3.92,;31.64,-4.76,;32.15,-6.19,;32.83,-3.69,;34.45,-3.65,;33.19,-2.96,)| Show InChI InChI=1S/C17H27NO3/c18-10-11-1-3-16(4-2-11)19-17(21-20-16)14-6-12-5-13(8-14)9-15(17)7-12/h11-15H,1-10,18H2/t11-,12?,13?,14?,15?,16+,17- | 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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 20: 563-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.088 BindingDB Entry DOI: 10.7270/Q2RJ4JKQ |
More data for this Ligand-Target Pair | |