BindingDB logo
myBDB logout

BDBM50493573 CHEMBL2431644

SMILES: O=C(CCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1

InChI Key: InChIKey=BTTAEFUAWNWJJB-QHCPKHFHSA-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 = 50493573   
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)		BDBM50493573
PNG
(CHEMBL2431644)
Show SMILES O=C(CCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|
Show InChI InChI=1S/C25H24N4O2/c30-24(11-10-18-6-2-1-3-7-18)29-23(25(31)28-20-12-14-26-15-13-20)16-19-17-27-22-9-5-4-8-21(19)22/h1-9,12-15,17,23,27H,10-11,16H2,(H,29,30)(H,26,28,31)/t23-/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