Found 8 hits for monomerid = 50416362 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 3A4
(Homo sapiens (Human)) | BDBM50416362
(CHEMBL2021600)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1 | 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 | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50416362
(CHEMBL2021600)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50416362
(CHEMBL2021600)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1 | 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 | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50416362
(CHEMBL2021600)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1 | 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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human ERG expressed in CHO cells by patch clamp assay |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50416362
(CHEMBL2021600)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1 | 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 | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50416362
(CHEMBL2021600)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human GlyT1b expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50416362
(CHEMBL2021600)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50416362
(CHEMBL2021600)Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(C)(C)C |r| Show InChI InChI=1S/C24H29F4N3O4S/c1-15(23(2,3)4)35-20-7-6-17(36(5,33)34)13-18(20)22(32)31-10-8-30(9-11-31)21-19(25)12-16(14-29-21)24(26,27)28/h6-7,12-15H,8-11H2,1-5H3/t15-/m0/s1 | 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 | >2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
J Med Chem 53: 4603-14 (2010)
Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT |
More data for this Ligand-Target Pair | |