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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Clathrin heavy chain 1' and Ligand = 'BDBM50446554'   
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
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446554
PNG
(CHEMBL3110159)
Show SMILES CCCN1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S([O-])(=O)=O
Show InChI InChI=1S/C15H14N2O5S/c1-2-6-17-14(18)9-5-3-4-8-12(9)10(15(17)19)7-11(13(8)16)23(20,21)22/h3-5,7H,2,6,16H2,1H3,(H,20,21,22)/p-1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
More data for this
Ligand-Target Pair