BDBM50068975 CHEMBL3402413

SMILES: Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1

InChI Key: InChIKey=KOKDIYJGSDDWRF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50068975   

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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50068975 (CHEMBL3402413) Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H20Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-2,4,12,14-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin)				Bioorg Med Chem Lett 25: 2211-6 (2015) Article DOI: 10.1016/j.bmcl.2015.03.060 BindingDB Entry DOI: 10.7270/Q2MC91Q7
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50068975 (CHEMBL3402413) Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H20Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-2,4,12,14-15H2	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	590	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)				Bioorg Med Chem Lett 25: 2211-6 (2015) Article DOI: 10.1016/j.bmcl.2015.03.060 BindingDB Entry DOI: 10.7270/Q2MC91Q7
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50068975 (CHEMBL3402413) Show SMILES Brc1ccc(Br)c(c1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H20Br2O4S2/c24-18-10-11-21(25)20(13-18)23(27)28-12-4-2-1-3-5-16-6-8-17(9-7-16)22(26)29-19-14-30-31-15-19/h6-11,13,19H,1-2,4,12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin)				Bioorg Med Chem Lett 25: 2211-6 (2015) Article DOI: 10.1016/j.bmcl.2015.03.060 BindingDB Entry DOI: 10.7270/Q2MC91Q7
					More data for this Ligand-Target Pair