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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 = 'BDBM50446550'   
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))
BDBM50446550
PNG
(CHEMBL3110177)
Show SMILES Nc1cccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)c1
Show InChI InChI=1S/C19H14N2O5S/c20-13-5-1-3-11(7-13)10-21-18(22)15-6-2-4-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10,20H2,(H,24,25,26)/p-1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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