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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol 14-alpha demethylase' and Ligand = 'BDBM50493567'   
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
Sterol 14-alpha demethylase


(Trypanosoma cruzi)		BDBM50493567
PNG
(CHEMBL2431636)
Show SMILES Fc1ccc2cc(ccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|
Show InChI InChI=1S/C27H21FN4O2/c28-21-8-7-17-13-19(6-5-18(17)14-21)26(33)32-25(27(34)31-22-9-11-29-12-10-22)15-20-16-30-24-4-2-1-3-23(20)24/h1-14,16,25,30H,15H2,(H,32,33)(H,29,31,34)/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a<5n/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis

J Med Chem 56: 7651-68 (2013)


Article DOI: 10.1021/jm401067s
BindingDB Entry DOI: 10.7270/Q2TB19VT
More data for this
Ligand-Target Pair