BDBM50045053 CHEMBL3309776

SMILES: OC(=O)c1cn(C2CC2)c2ccc(cc2c1=O)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=ZYCPTPTUPQBQON-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 = 50045053   

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))	BDBM50045053 (CHEMBL3309776) Show SMILES OC(=O)c1cn(C2CC2)c2ccc(cc2c1=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N3O3/c28-23-20-14-19(8-9-22(20)27(18-6-7-18)16-21(23)24(29)30)26-12-10-25(11-13-26)15-17-4-2-1-3-5-17/h1-5,8-9,14,16,18H,6-7,10-13,15H2,(H,29,30)	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	9.20	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