Found 5 hits for monomerid = 50301829 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 |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50301829
(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC Show InChI InChI=1S/C21H31NO6/c1-20(14-21(28-27-20)8-6-5-7-9-21)12-18(23)22-13-15-10-16(24-2)19(26-4)17(11-15)25-3/h10-11H,5-9,12-14H2,1-4H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Infectious Diseases Initiative
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 19: 5657-60 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50301829
(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC Show InChI InChI=1S/C21H31NO6/c1-20(14-21(28-27-20)8-6-5-7-9-21)12-18(23)22-13-15-10-16(24-2)19(26-4)17(11-15)25-3/h10-11H,5-9,12-14H2,1-4H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Infectious Diseases Initiative
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 19: 5657-60 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50301829
(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC Show InChI InChI=1S/C21H31NO6/c1-20(14-21(28-27-20)8-6-5-7-9-21)12-18(23)22-13-15-10-16(24-2)19(26-4)17(11-15)25-3/h10-11H,5-9,12-14H2,1-4H3,(H,22,23) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Infectious Diseases Initiative
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 19: 5657-60 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50301829
(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC Show InChI InChI=1S/C21H31NO6/c1-20(14-21(28-27-20)8-6-5-7-9-21)12-18(23)22-13-15-10-16(24-2)19(26-4)17(11-15)25-3/h10-11H,5-9,12-14H2,1-4H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Infectious Diseases Initiative
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
Bioorg Med Chem Lett 19: 5657-60 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50301829
(2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)-N-(3,4,...)Show SMILES COc1cc(CNC(=O)CC2(C)CC3(CCCCC3)OO2)cc(OC)c1OC Show InChI InChI=1S/C21H31NO6/c1-20(14-21(28-27-20)8-6-5-7-9-21)12-18(23)22-13-15-10-16(24-2)19(26-4)17(11-15)25-3/h10-11H,5-9,12-14H2,1-4H3,(H,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute Infectious Diseases Initiative
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 19: 5657-60 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.024 BindingDB Entry DOI: 10.7270/Q22R3RRX |
More data for this Ligand-Target Pair | |