Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Clathrin heavy chain 1' and Ligand = 'BDBM50446552'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Clathrin heavy chain 1 (Homo sapiens (Human))	BDBM50446552 (CHEMBL3110162) Show SMILES OC(=O)c1cc(O)ccc1N1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O Show InChI InChI=1S/C19H10N2O7/c22-11-4-5-15(13(8-11)19(25)26)20-17(23)12-3-1-2-9-6-10(21(27)28)7-14(16(9)12)18(20)24/h1-8,22H,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q2HQ41DT
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