BDBM50542421 CHEMBL4634606

SMILES: O=C(Nc1ccccc1)c1ccc([nH]1)-c1ccc(cc1)C(=O)Nc1ccccc1

InChI Key: InChIKey=FLPZIBNCUDKVHJ-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 = 50542421   

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))	BDBM50542421 (CHEMBL4634606) Show SMILES O=C(Nc1ccccc1)c1ccc([nH]1)-c1ccc(cc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H19N3O2/c28-23(25-19-7-3-1-4-8-19)18-13-11-17(12-14-18)21-15-16-22(27-21)24(29)26-20-9-5-2-6-10-20/h1-16,27H,(H,25,28)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangnan University Curated by ChEMBL					Assay Description Inhibition of GST-tagged PTP1B (unknown origin) using pNPP as substrate measured for 3 mins by colorimetric assay				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair