Found 6 hits for monomerid = 50067202 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 |
High-affinity choline transporter
(Homo sapiens (Human)) | BDBM50067202
(CHEMBL1872483)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 100 nM [3H... |
Bioorg Med Chem Lett 25: 1757-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX |
More data for this Ligand-Target Pair | |
High-affinity choline transporter
(Homo sapiens (Human)) | BDBM50067202
(CHEMBL1872483)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 10 uM [3H]... |
Bioorg Med Chem Lett 25: 1757-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50067202
(CHEMBL1872483)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27) | 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 | >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 25: 1757-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50067202
(CHEMBL1872483)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27) | 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 | >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 25: 1757-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50067202
(CHEMBL1872483)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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 human CYP2D6 |
Bioorg Med Chem Lett 25: 1757-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50067202
(CHEMBL1872483)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27) | 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 human CYP1A2 |
Bioorg Med Chem Lett 25: 1757-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX |
More data for this Ligand-Target Pair | |