BDBM50380754 CHEMBL2017853

SMILES: COc1ccc(cc1)C(Cc1ccc(cc1)-c1cc(on1)C(O)=O)c1nc(no1)-c1ccc(Cl)cc1

InChI Key: InChIKey=MZRTXTPBAYMJCA-UHFFFAOYSA-N

Data: 1 KI

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 = 50380754   

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))	BDBM50380754 (CHEMBL2017853) Show SMILES COc1ccc(cc1)C(Cc1ccc(cc1)-c1cc(on1)C(O)=O)c1nc(no1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H20ClN3O5/c1-34-21-12-8-17(9-13-21)22(26-29-25(31-36-26)19-6-10-20(28)11-7-19)14-16-2-4-18(5-3-16)23-15-24(27(32)33)35-30-23/h2-13,15,22H,14H2,1H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed b...				Bioorg Med Chem Lett 22: 2843-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.070 BindingDB Entry DOI: 10.7270/Q2FB53ZS
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