BDBM50045057 CHEMBL3309786

SMILES: COC(=O)c1cc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)ccc1OC

InChI Key: InChIKey=GGFURUZZKXOESK-UHFFFAOYSA-N

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 = 50045057   

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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50045057 (CHEMBL3309786) Show SMILES COC(=O)c1cc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)ccc1OC Show InChI InChI=1S/C20H16INO6/c1-27-17-6-3-11(7-14(17)20(26)28-2)9-22-10-15(19(24)25)18(23)13-8-12(21)4-5-16(13)22/h3-8,10H,9H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate by colorimetric assay				Bioorg Med Chem 22: 3670-83 (2014) Article DOI: 10.1016/j.bmc.2014.05.028 BindingDB Entry DOI: 10.7270/Q2G44RX2
					More data for this Ligand-Target Pair