Found 6 hits for monomerid = 50427173 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 2C9
(Homo sapiens (Human)) | BDBM50427173
(CHEMBL2324491)Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1 Show InChI InChI=1S/C21H29F4N3O3S/c1-2-14-32(30,31)28-12-10-27(11-13-28)20(6-8-21(24,25)9-7-20)15-26-19(29)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,26,29) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 1257-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50427173
(CHEMBL2324491)Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1 Show InChI InChI=1S/C21H29F4N3O3S/c1-2-14-32(30,31)28-12-10-27(11-13-28)20(6-8-21(24,25)9-7-20)15-26-19(29)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,26,29) | 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 |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 1257-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50427173
(CHEMBL2324491)Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1 Show InChI InChI=1S/C21H29F4N3O3S/c1-2-14-32(30,31)28-12-10-27(11-13-28)20(6-8-21(24,25)9-7-20)15-26-19(29)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,26,29) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in HEK293 cells by patch clamp assay |
Bioorg Med Chem Lett 23: 1257-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50427173
(CHEMBL2324491)Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1 Show InChI InChI=1S/C21H29F4N3O3S/c1-2-14-32(30,31)28-12-10-27(11-13-28)20(6-8-21(24,25)9-7-20)15-26-19(29)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,26,29) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 23: 1257-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6 |
More data for this Ligand-Target Pair | |
Glycine transporter 1
(Homo sapiens (Human)) | BDBM50427173
(CHEMBL2324491)Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1 Show InChI InChI=1S/C21H29F4N3O3S/c1-2-14-32(30,31)28-12-10-27(11-13-28)20(6-8-21(24,25)9-7-20)15-26-19(29)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,26,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay |
Bioorg Med Chem Lett 23: 1257-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50427173
(CHEMBL2324491)Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1 Show InChI InChI=1S/C21H29F4N3O3S/c1-2-14-32(30,31)28-12-10-27(11-13-28)20(6-8-21(24,25)9-7-20)15-26-19(29)18-16(22)4-3-5-17(18)23/h3-5H,2,6-15H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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 |
AMRI
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 1257-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6 |
More data for this Ligand-Target Pair | |