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BDBM50493560 CHEMBL2431538

SMILES: Fc1cc(\C=C\c2ccc(Cl)cc2)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1

InChI Key: InChIKey=WXJOWOKLOJYRBE-MRDBIULHSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50493560   
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)		BDBM50493560
PNG
(CHEMBL2431538)
Show SMILES Fc1cc(\C=C\c2ccc(Cl)cc2)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|
Show InChI InChI=1S/C31H24ClFN4O2/c32-23-10-7-20(8-11-23)5-6-21-9-12-26(27(33)17-21)30(38)37-29(31(39)36-24-13-15-34-16-14-24)18-22-19-35-28-4-2-1-3-25(22)28/h1-17,19,29,35H,18H2,(H,37,38)(H,34,36,39)/b6-5+/t29-/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