BindingDB logo
myBDB logout

BDBM50493529 CHEMBL2431537

SMILES: Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C#Cc1ccccc1

InChI Key: InChIKey=HZYJPHNNQICBGS-LJAQVGFWSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50493529   
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)		BDBM50493529
PNG
(CHEMBL2431537)
Show SMILES Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C31H23FN4O2/c32-27-18-22(11-10-21-6-2-1-3-7-21)12-13-26(27)30(37)36-29(31(38)35-24-14-16-33-17-15-24)19-23-20-34-28-9-5-4-8-25(23)28/h1-9,12-18,20,29,34H,19H2,(H,36,37)(H,33,35,38)/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