BDBM50045059 CHEMBL3309788

SMILES: COC(=O)c1cc(Cn2cc(C(=O)NCc3ccccc3)c(=O)c3cc(I)ccc23)ccc1OC

InChI Key: InChIKey=XFHULGWPIOSGHH-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 = 50045059   

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))	BDBM50045059 (CHEMBL3309788) Show SMILES COC(=O)c1cc(Cn2cc(C(=O)NCc3ccccc3)c(=O)c3cc(I)ccc23)ccc1OC Show InChI InChI=1S/C27H23IN2O5/c1-34-24-11-8-18(12-21(24)27(33)35-2)15-30-16-22(25(31)20-13-19(28)9-10-23(20)30)26(32)29-14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,29,32)	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