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Found 1 hit Enz. Inhib. hit(s) with Target = 'Sterol 14-alpha demethylase cyp51A' and Ligand = 'BDBM50181473'   
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 cyp51A


(Neosartorya fumigata (strain ATCC MYA-4609 / Af293...)		BDBM50181473
PNG
(4-(4-(4-(4-(((3R,5R)-5-((1H-1,2,4-triazol-1-yl)met...)
Show SMILES CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |r|
Show InChI InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1
KEGG

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PubMed
n/an/an/a 2.69E+3n/an/an/an/an/a



Swansea University

Curated by ChEMBL


Assay Description
Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli

Antimicrob Agents Chemother 54: 4225-34 (2010)


Article DOI: 10.1128/AAC.00316-10
BindingDB Entry DOI: 10.7270/Q2X34XRK
More data for this
Ligand-Target Pair