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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A' and Ligand = 'BDBM50176907'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50176907
PNG
(CHEMBL3814729)
Show SMILES NCCCCCC(=O)NCc1cccnc1
Show InChI InChI=1S/C12H19N3O/c13-7-3-1-2-6-12(16)15-10-11-5-4-8-14-9-11/h4-5,8-9H,1-3,6-7,10,13H2,(H,15,16)
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



University of California-Irvine

Curated by ChEMBL


Assay Description
Inhibition of C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as 7-benzyloxy-4-(trifluorome...


J Med Chem 59: 4210-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01146
BindingDB Entry DOI: 10.7270/Q2Q52RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50176907
PNG
(CHEMBL3814729)
Show SMILES NCCCCCC(=O)NCc1cccnc1
Show InChI InChI=1S/C12H19N3O/c13-7-3-1-2-6-12(16)15-10-11-5-4-8-14-9-11/h4-5,8-9H,1-3,6-7,10,13H2,(H,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.00E+4n/an/an/an/an/a



University of California-Irvine

Curated by ChEMBL


Assay Description
Binding affinity to C-terminal four-histidine tagged human CYP3A4delta3 to 24 residues expressed in Escherichia coli assessed as spectral dissociatio...


J Med Chem 59: 4210-20 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01146
BindingDB Entry DOI: 10.7270/Q2Q52RKB
More data for this
Ligand-Target Pair