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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 = 'BDBM50493569'   
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)		BDBM50493569
PNG
(CHEMBL2431624)
Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C29H22ClFN4O2/c30-24-7-3-1-5-21(24)18-9-10-23(25(31)15-18)28(36)35-27(29(37)34-20-11-13-32-14-12-20)16-19-17-33-26-8-4-2-6-22(19)26/h1-15,17,27,33H,16H2,(H,35,36)(H,32,34,37)/t27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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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