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BDBM50493543 CHEMBL2431648

SMILES: Fc1ccc(CCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1

InChI Key: InChIKey=YTJAZBYDHBFZDY-DEOSSOPVSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50493543   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sterol 14-alpha demethylase (CYP51)


(Trypanosoma cruzi)		BDBM50493543
PNG
(CHEMBL2431648)
Show SMILES Fc1ccc(CCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 |r|
Show InChI InChI=1S/C26H25FN4O2/c27-20-10-8-18(9-11-20)4-3-7-25(32)31-24(26(33)30-21-12-14-28-15-13-21)16-19-17-29-23-6-2-1-5-22(19)23/h1-2,5-6,8-15,17,24,29H,3-4,7,16H2,(H,31,32)(H,28,30,33)/t24-/m0/s1
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PC cid
PC sid
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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