BDBM50045054 CHEMBL3309777

SMILES: Ic1ccc2n(cc(C(=O)OCc3ccccc3)c(=O)c2c1)C1CC1

InChI Key: InChIKey=MXDRLQNSBMAKNZ-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 = 50045054   

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))	BDBM50045054 (CHEMBL3309777) Show SMILES Ic1ccc2n(cc(C(=O)OCc3ccccc3)c(=O)c2c1)C1CC1 Show InChI InChI=1S/C20H16INO3/c21-14-6-9-18-16(10-14)19(23)17(11-22(18)15-7-8-15)20(24)25-12-13-4-2-1-3-5-13/h1-6,9-11,15H,7-8,12H2	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	11	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