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BDBM50493537 CHEMBL2431635

SMILES: Fc1c(ccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1

InChI Key: InChIKey=MSJFVYMAEXMBGL-DEOSSOPVSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50493537   
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)		BDBM50493537
PNG
(CHEMBL2431635)
Show SMILES Fc1c(ccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|
Show InChI InChI=1S/C27H21FN4O2/c28-25-21-7-2-1-5-17(21)9-10-22(25)26(33)32-24(27(34)31-19-11-13-29-14-12-19)15-18-16-30-23-8-4-3-6-20(18)23/h1-14,16,24,30H,15H2,(H,32,33)(H,29,31,34)/t24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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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