Found 4 hits for monomerid = 50447890 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)) | BDBM50447890
(CHEMBL3114971)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-6-7-14)12-26-20(30)15-4-2-3-5-16(15)22(23,24)25/h2-5,11,13-14,17-18H,6-10,12H2,1H3,(H,26,30)/t17-,18+,21- | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+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)) | BDBM50447890
(CHEMBL3114971)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-6-7-14)12-26-20(30)15-4-2-3-5-16(15)22(23,24)25/h2-5,11,13-14,17-18H,6-10,12H2,1H3,(H,26,30)/t17-,18+,21- | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.10 | 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)) | BDBM50447890
(CHEMBL3114971)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-6-7-14)12-26-20(30)15-4-2-3-5-16(15)22(23,24)25/h2-5,11,13-14,17-18H,6-10,12H2,1H3,(H,26,30)/t17-,18+,21- | 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 | >3.00E+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)) | BDBM50447890
(CHEMBL3114971)Show SMILES Cn1cnc(c1)S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@]2(CNC(=O)c1ccccc1C(F)(F)F)CC1CC1 |r| Show InChI InChI=1S/C22H25F3N4O3S/c1-28-11-19(27-13-28)33(31,32)29-9-17-18(10-29)21(17,8-14-6-7-14)12-26-20(30)15-4-2-3-5-16(15)22(23,24)25/h2-5,11,13-14,17-18H,6-10,12H2,1H3,(H,26,30)/t17-,18+,21- | 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 | >3.00E+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 | |