BDBM50446545 CHEMBL3110186

SMILES: OC(=O)c1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1

InChI Key: InChIKey=DRVDJBCUWUFMNM-UHFFFAOYSA-M

Data: 1 IC50

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 = 50446545   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Clathrin heavy chain 1 (Homo sapiens (Human))	BDBM50446545 (CHEMBL3110186) Show SMILES OC(=O)c1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C20H13NO7S/c22-18-15-3-1-2-13-8-14(29(26,27)28)9-16(17(13)15)19(23)21(18)10-11-4-6-12(7-5-11)20(24)25/h1-9H,10H2,(H,24,25)(H,26,27,28)/p-1	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
					More data for this Ligand-Target Pair