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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 = 'BDBM50493549'   
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)		BDBM50493549
PNG
(CHEMBL2431649)
Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H20N4O2/c28-22(16-6-2-1-3-7-16)27-21(23(29)26-18-10-12-24-13-11-18)14-17-15-25-20-9-5-4-8-19(17)20/h1-13,15,21,25H,14H2,(H,27,28)(H,24,26,29)/t21-/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