Found 2 hits in this display 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)) | BDBM50364639
(CHEMBL1951335)Show SMILES CCNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1 Show InChI InChI=1S/C22H20N6O2/c1-2-23-21(29)15-4-3-5-17(12-15)28-22(30)27-16-8-6-14(7-9-16)18-10-11-24-20-19(18)25-13-26-20/h3-13H,2H2,1H3,(H,23,29)(H,24,25,26)(H2,27,28,30) | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A5
(Homo sapiens (Human)) | BDBM50364639
(CHEMBL1951335)Show SMILES CCNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3nc[nH]c23)c1 Show InChI InChI=1S/C22H20N6O2/c1-2-23-21(29)15-4-3-5-17(12-15)28-22(30)27-16-8-6-14(7-9-16)18-10-11-24-20-19(18)25-13-26-20/h3-13H,2H2,1H3,(H,23,29)(H,24,25,26)(H2,27,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A5 in supersomes using midazolam as substrate after 5 mins by LC-MS/MS analysis |
Bioorg Med Chem Lett 22: 1611-4 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.125
BindingDB Entry DOI: 10.7270/Q2T72HXJ |
More data for this
Ligand-Target Pair | |