Found 4 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 2D6
(Homo sapiens (Human)) | BDBM50119622
(CHEMBL3618396)Show SMILES Oc1ncccc1C(=O)NCCCCNC(=O)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C20H20N4O4/c25-18(15-9-6-12-22-19(15)26)21-10-4-5-11-23-20(27)16-13-17(28-24-16)14-7-2-1-3-8-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,21,25)(H,22,26)(H,23,27) | 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 |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 4260-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.104
BindingDB Entry DOI: 10.7270/Q2MC91TK |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50119622
(CHEMBL3618396)Show SMILES Oc1ncccc1C(=O)NCCCCNC(=O)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C20H20N4O4/c25-18(15-9-6-12-22-19(15)26)21-10-4-5-11-23-20(27)16-13-17(28-24-16)14-7-2-1-3-8-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,21,25)(H,22,26)(H,23,27) | 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 CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 4260-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.104
BindingDB Entry DOI: 10.7270/Q2MC91TK |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50119622
(CHEMBL3618396)Show SMILES Oc1ncccc1C(=O)NCCCCNC(=O)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C20H20N4O4/c25-18(15-9-6-12-22-19(15)26)21-10-4-5-11-23-20(27)16-13-17(28-24-16)14-7-2-1-3-8-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,21,25)(H,22,26)(H,23,27) | 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 CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 4260-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.104
BindingDB Entry DOI: 10.7270/Q2MC91TK |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50119622
(CHEMBL3618396)Show SMILES Oc1ncccc1C(=O)NCCCCNC(=O)c1cc(on1)-c1ccccc1 Show InChI InChI=1S/C20H20N4O4/c25-18(15-9-6-12-22-19(15)26)21-10-4-5-11-23-20(27)16-13-17(28-24-16)14-7-2-1-3-8-14/h1-3,6-9,12-13H,4-5,10-11H2,(H,21,25)(H,22,26)(H,23,27) | 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 CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 25: 4260-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.104
BindingDB Entry DOI: 10.7270/Q2MC91TK |
More data for this
Ligand-Target Pair | |
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