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BDBM50493550 CHEMBL2431645

SMILES: O=C(CCCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1

InChI Key: InChIKey=KQBVXIQEHQEIMN-DEOSSOPVSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50493550   
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)		BDBM50493550
PNG
(CHEMBL2431645)
Show SMILES O=C(CCCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|
Show InChI InChI=1S/C26H26N4O2/c31-25(12-6-9-19-7-2-1-3-8-19)30-24(26(32)29-21-13-15-27-16-14-21)17-20-18-28-23-11-5-4-10-22(20)23/h1-5,7-8,10-11,13-16,18,24,28H,6,9,12,17H2,(H,30,31)(H,27,29,32)/t24-/m0/s1
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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