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BDBM50493536 CHEMBL2431543

SMILES: O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(c1)-c1ccccc1

InChI Key: InChIKey=ZEACBIUBSOLEGW-MHZLTWQESA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50493536   
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)		BDBM50493536
PNG
(CHEMBL2431543)
Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H24N4O2/c34-28(22-10-6-9-21(17-22)20-7-2-1-3-8-20)33-27(29(35)32-24-13-15-30-16-14-24)18-23-19-31-26-12-5-4-11-25(23)26/h1-17,19,27,31H,18H2,(H,33,34)(H,30,32,35)/t27-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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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