Found 6 hits of ic50 for monomerid = 50067206 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
High affinity choline transporter 1
(Homo sapiens (Human)) | BDBM50067206
(CHEMBL3188567)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1 Show InChI InChI=1S/C24H33N3O3/c1-17(2)27-13-10-21(11-14-27)30-23-16-19(8-9-22(23)29-4)24(28)26-18(3)15-20-7-5-6-12-25-20/h5-9,12,16-18,21H,10-11,13-15H2,1-4H3,(H,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.73E+3 | 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 | |
High affinity choline transporter 1
(Homo sapiens (Human)) | BDBM50067206
(CHEMBL3188567)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1 Show InChI InChI=1S/C24H33N3O3/c1-17(2)27-13-10-21(11-14-27)30-23-16-19(8-9-22(23)29-4)24(28)26-18(3)15-20-7-5-6-12-25-20/h5-9,12,16-18,21H,10-11,13-15H2,1-4H3,(H,26,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.12E+3 | 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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50067206
(CHEMBL3188567)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1 Show InChI InChI=1S/C24H33N3O3/c1-17(2)27-13-10-21(11-14-27)30-23-16-19(8-9-22(23)29-4)24(28)26-18(3)15-20-7-5-6-12-25-20/h5-9,12,16-18,21H,10-11,13-15H2,1-4H3,(H,26,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.71E+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 3A4
(Homo sapiens (Human)) | BDBM50067206
(CHEMBL3188567)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1 Show InChI InChI=1S/C24H33N3O3/c1-17(2)27-13-10-21(11-14-27)30-23-16-19(8-9-22(23)29-4)24(28)26-18(3)15-20-7-5-6-12-25-20/h5-9,12,16-18,21H,10-11,13-15H2,1-4H3,(H,26,28) | 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 | 2.82E+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)) | BDBM50067206
(CHEMBL3188567)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1 Show InChI InChI=1S/C24H33N3O3/c1-17(2)27-13-10-21(11-14-27)30-23-16-19(8-9-22(23)29-4)24(28)26-18(3)15-20-7-5-6-12-25-20/h5-9,12,16-18,21H,10-11,13-15H2,1-4H3,(H,26,28) | 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 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 1A2
(Homo sapiens (Human)) | BDBM50067206
(CHEMBL3188567)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NC(C)Cc1ccccn1 Show InChI InChI=1S/C24H33N3O3/c1-17(2)27-13-10-21(11-14-27)30-23-16-19(8-9-22(23)29-4)24(28)26-18(3)15-20-7-5-6-12-25-20/h5-9,12,16-18,21H,10-11,13-15H2,1-4H3,(H,26,28) | 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 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 | |