BDBM50045058 CHEMBL3309787

SMILES: COC(=O)c1cc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)ccc1O

InChI Key: InChIKey=DSJSVPFPQYYZLX-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 = 50045058   

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))	BDBM50045058 (CHEMBL3309787) Show SMILES COC(=O)c1cc(Cn2cc(C(O)=O)c(=O)c3cc(I)ccc23)ccc1O Show InChI InChI=1S/C19H14INO6/c1-27-19(26)13-6-10(2-5-16(13)22)8-21-9-14(18(24)25)17(23)12-7-11(20)3-4-15(12)21/h2-7,9,22H,8H2,1H3,(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	8.10	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