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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 = 'BDBM50493540'   
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)		BDBM50493540
PNG
(CHEMBL2429886)
Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C30H32N4O3/c35-29(22-9-5-2-6-10-22)34-28(30(36)33-24-13-15-31-16-14-24)17-23-19-32-27-12-11-25(18-26(23)27)37-20-21-7-3-1-4-8-21/h1,3-4,7-8,11-16,18-19,22,28,32H,2,5-6,9-10,17,20H2,(H,34,35)(H,31,33,36)/t28-/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