BindingDB logo
myBDB logout

BDBM29345 Indomethacin-amide derivative, 15

SMILES: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)c3ccncc3)c2c1

InChI Key: InChIKey=OLIGVCMWZHUUSR-UHFFFAOYSA-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 = 29345   
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)		BDBM29345
PNG
(Indomethacin-amide derivative, 15)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)c3ccncc3)c2c1
Show InChI InChI=1S/C26H24ClN3O3/c1-16(18-10-12-28-13-11-18)29-25(31)15-22-17(2)30(24-9-8-21(33-3)14-23(22)24)26(32)19-4-6-20(27)7-5-19/h4-14,16H,15H2,1-3H3,(H,29,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 370n/an/an/a7.424



Vanderbilt University



Assay Description
As a cysteine-coordinated hemoprotein, sterol 14-alpha-demethylase responds spectrally to any perturbations in the area surrounding the heme iron. Th...

J Med Chem 52: 2846-53 (2009)


Article DOI: 10.1021/jm801643b
BindingDB Entry DOI: 10.7270/Q2MP51MG
More data for this
Ligand-Target Pair