BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1

InChI Key: InChIKey=XBOFJPSCQGVLPB-WUFINQPMSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50310753   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50310753
PNG
(CHEMBL1079230 | N-[(S)-2-thiazol-5-ylmethoxycarbon...)
Show SMILES CC(C)(C)CN(C[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)C[C@@H](Cc1ccccc1)NC(=O)OCc1nccs1 |r|
Show InChI InChI=1S/C33H41N5O4S2/c1-33(2,3)23-38(19-27(16-25-10-6-4-7-11-25)36-31(39)41-21-29-18-34-24-44-29)20-28(17-26-12-8-5-9-13-26)37-32(40)42-22-30-35-14-15-43-30/h4-15,18,24,27-28H,16-17,19-23H2,1-3H3,(H,36,39)(H,37,40)/t27-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4-mediated oxidation of 7-benzyloxyquinoline

Bioorg Med Chem Lett 19: 5444-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.118
BindingDB Entry DOI: 10.7270/Q21R6QN0
More data for this
Ligand-Target Pair