Found 3 hits of ic50 for monomerid = 50192750 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 |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50192750
(CHEMBL3940521)Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)(C)C)-c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26N4O3S/c1-22(2,3)21-20-15(13-25(21)16-9-10-23-19(12-16)29-4)14-26(24-20)17-7-6-8-18(11-17)30(5,27)28/h6-12,14,21H,13H2,1-5H3/t21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50192750
(CHEMBL3940521)Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)(C)C)-c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26N4O3S/c1-22(2,3)21-20-15(13-25(21)16-9-10-23-19(12-16)29-4)14-26(24-20)17-7-6-8-18(11-17)30(5,27)28/h6-12,14,21H,13H2,1-5H3/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50192750
(CHEMBL3940521)Show SMILES COc1cc(ccn1)N1Cc2cn(nc2[C@H]1C(C)(C)C)-c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26N4O3S/c1-22(2,3)21-20-15(13-25(21)16-9-10-23-19(12-16)29-4)14-26(24-20)17-7-6-8-18(11-17)30(5,27)28/h6-12,14,21H,13H2,1-5H3/t21-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB 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 |
Vitae Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 26: 5044-5050 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.089 BindingDB Entry DOI: 10.7270/Q28P62GC |
More data for this Ligand-Target Pair | |