BDBM50380750 CHEMBL2017849

SMILES: OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1

InChI Key: InChIKey=AIQIUYCHCUOBMY-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 = 50380750   

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))	BDBM50380750 (CHEMBL2017849) Show SMILES OC(=O)c1csc(n1)-c1ccc(CC(C(=O)c2ccc(F)c(F)c2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H16F3NO3S/c26-18-8-5-15(6-9-18)19(23(30)17-7-10-20(27)21(28)12-17)11-14-1-3-16(4-2-14)24-29-22(13-33-24)25(31)32/h1-10,12-13,19H,11H2,(H,31,32)	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	1.80E+3	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
					More data for this Ligand-Target Pair