Found 5 hits for monomerid = 50196412 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)) | BDBM50196412
(CHEMBL3933906)Show SMILES CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1 Show InChI InChI=1S/C20H26ClN3O3/c1-13(2)18-11-16(27-23-18)12-22-20(25)14-4-5-17(21)19(10-14)26-15-6-8-24(3)9-7-15/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 human CYP2C9 |
Bioorg Med Chem Lett 26: 4637-4640 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.062 BindingDB Entry DOI: 10.7270/Q27D2X2R |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50196412
(CHEMBL3933906)Show SMILES CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1 Show InChI InChI=1S/C20H26ClN3O3/c1-13(2)18-11-16(27-23-18)12-22-20(25)14-4-5-17(21)19(10-14)26-15-6-8-24(3)9-7-15/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 human CYP3A4 |
Bioorg Med Chem Lett 26: 4637-4640 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.062 BindingDB Entry DOI: 10.7270/Q27D2X2R |
More data for this Ligand-Target Pair | |
High-affinity choline transporter
(Homo sapiens (Human)) | BDBM50196412
(CHEMBL3933906)Show SMILES CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1 Show InChI InChI=1S/C20H26ClN3O3/c1-13(2)18-11-16(27-23-18)12-22-20(25)14-4-5-17(21)19(10-14)26-15-6-8-24(3)9-7-15/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of [3H]choline uptake at human choline transporter expressed in HEK293 cells preincubated for 15 mins followed by [3H]choline addition mea... |
Bioorg Med Chem Lett 26: 4637-4640 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.062 BindingDB Entry DOI: 10.7270/Q27D2X2R |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50196412
(CHEMBL3933906)Show SMILES CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1 Show InChI InChI=1S/C20H26ClN3O3/c1-13(2)18-11-16(27-23-18)12-22-20(25)14-4-5-17(21)19(10-14)26-15-6-8-24(3)9-7-15/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 human CYP1A2 |
Bioorg Med Chem Lett 26: 4637-4640 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.062 BindingDB Entry DOI: 10.7270/Q27D2X2R |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50196412
(CHEMBL3933906)Show SMILES CC(C)c1cc(CNC(=O)c2ccc(Cl)c(OC3CCN(C)CC3)c2)on1 Show InChI InChI=1S/C20H26ClN3O3/c1-13(2)18-11-16(27-23-18)12-22-20(25)14-4-5-17(21)19(10-14)26-15-6-8-24(3)9-7-15/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,22,25) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| Purchase
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 human CYP2D6 |
Bioorg Med Chem Lett 26: 4637-4640 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.062 BindingDB Entry DOI: 10.7270/Q27D2X2R |
More data for this Ligand-Target Pair | |