Found 3 hits of Enzyme Inhibition Constant Data 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 3A4
(Homo sapiens (Human)) | BDBM50425037
(CHEMBL2312555)Show SMILES COc1cc(\C=C2/CCCN3[C@H](CCON=C23)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 |r,t:15| Show InChI InChI=1S/C26H25F3N4O2/c1-16-14-32(15-30-16)23-6-5-17(11-24(23)34-2)10-18-4-3-8-33-22(7-9-35-31-26(18)33)19-12-20(27)25(29)21(28)13-19/h5-6,10-15,22H,3-4,7-9H2,1-2H3/b18-10+/t22-/m1/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratory
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 23: 466-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.055 BindingDB Entry DOI: 10.7270/Q20Z74MN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50425037
(CHEMBL2312555)Show SMILES COc1cc(\C=C2/CCCN3[C@H](CCON=C23)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 |r,t:15| Show InChI InChI=1S/C26H25F3N4O2/c1-16-14-32(15-30-16)23-6-5-17(11-24(23)34-2)10-18-4-3-8-33-22(7-9-35-31-26(18)33)19-12-20(27)25(29)21(28)13-19/h5-6,10-15,22H,3-4,7-9H2,1-2H3/b18-10+/t22-/m1/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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratory
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 466-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.055 BindingDB Entry DOI: 10.7270/Q20Z74MN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50425037
(CHEMBL2312555)Show SMILES COc1cc(\C=C2/CCCN3[C@H](CCON=C23)c2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1 |r,t:15| Show InChI InChI=1S/C26H25F3N4O2/c1-16-14-32(15-30-16)23-6-5-17(11-24(23)34-2)10-18-4-3-8-33-22(7-9-35-31-26(18)33)19-12-20(27)25(29)21(28)13-19/h5-6,10-15,22H,3-4,7-9H2,1-2H3/b18-10+/t22-/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Merck Research Laboratory
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 466-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.11.055 BindingDB Entry DOI: 10.7270/Q20Z74MN |
More data for this Ligand-Target Pair | |