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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase' and Ligand = 'BDBM50135749'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase


(Cryptosporidium parvum)		BDBM50135749
PNG
((6S,9S,12S,14aR)-6-sec-Butyl-9-(1-methoxy-1H-indol...)
Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1S/C34H47N5O7/c1-4-21(2)30-34(44)38-17-11-10-15-27(38)33(43)35-24(13-6-5-7-16-28(40)29-20-46-29)31(41)36-25(32(42)37-30)18-22-19-39(45-3)26-14-9-8-12-23(22)26/h8-9,12,14,19,21,24-25,27,29-30H,4-7,10-11,13,15-18,20H2,1-3H3,(H,35,43)(H,36,41)(H,37,42)/t21?,24-,25-,27+,29?,30-/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Aton Pharma, Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration determined against Histone deacetylase from Eimeria tenella

J Med Chem 46: 5097-116 (2003)


Article DOI: 10.1021/jm0303094
BindingDB Entry DOI: 10.7270/Q2MP5413
More data for this
Ligand-Target Pair