BDBM50177326 1-(4-benzylpiperazin-1-yl)-2-(4-(7-(4-methoxybenzoyl)cyclopenta[d][1,2]oxazin-4-yl)phenoxy)ethanone::CHEMBL370140

SMILES: COc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=DBAPNOUCSRGNFU-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 = 50177326   

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))	BDBM50177326 (1-(4-benzylpiperazin-1-yl)-2-(4-(7-(4-methoxybenzo...) Show SMILES COc1ccc(cc1)C(=O)c1ccc2c(nocc12)-c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C34H31N3O5/c1-40-27-11-9-26(10-12-27)34(39)30-16-15-29-31(30)22-42-35-33(29)25-7-13-28(14-8-25)41-23-32(38)37-19-17-36(18-20-37)21-24-5-3-2-4-6-24/h2-16,22H,17-21,23H2,1H3	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	5.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human PTP1B				Bioorg Med Chem Lett 16: 499-502 (2005) Article DOI: 10.1016/j.bmcl.2005.10.062 BindingDB Entry DOI: 10.7270/Q2319VFG
					More data for this Ligand-Target Pair