Found 4 hits for monomerid = 50447893 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 2D6
(Homo sapiens (Human)) | BDBM50447893
(CHEMBL3114792)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL 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 |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013 BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50447893
(CHEMBL3114792)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013 BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50447893
(CHEMBL3114792)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013 BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50447893
(CHEMBL3114792)Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C23H28Cl2N2O3S/c1-3-15-31(29,30)27-13-11-23(12-14-27,18-7-5-4-6-8-18)17(2)26-22(28)20-10-9-19(24)16-21(20)25/h4-10,16-17H,3,11-15H2,1-2H3,(H,26,28)/t17-/m0/s1 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 24: 1067-70 (2014)
Article DOI: 10.1016/j.bmcl.2014.01.013 BindingDB Entry DOI: 10.7270/Q2K64KK4 |
More data for this Ligand-Target Pair | |