BDBM50068879 CHEMBL3402412

SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1

InChI Key: InChIKey=DCMJFSRYJJGBFD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50068879   

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 1C (Homo sapiens (Human))	BDBM50068879 (CHEMBL3402412) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H21NO6S2/c25-22(18-10-12-20(13-11-18)24(27)28)29-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)30-21-15-31-32-16-21/h6-13,21H,1-2,4,14-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of SHP1 (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))	BDBM50068879 (CHEMBL3402412) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H21NO6S2/c25-22(18-10-12-20(13-11-18)24(27)28)29-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)30-21-15-31-32-16-21/h6-13,21H,1-2,4,14-16H2	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	1.01E+4	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))	BDBM50068879 (CHEMBL3402412) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H21NO6S2/c25-22(18-10-12-20(13-11-18)24(27)28)29-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)30-21-15-31-32-16-21/h6-13,21H,1-2,4,14-16H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.46E+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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50068879 (CHEMBL3402412) Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)OCCCCC#Cc1ccc(cc1)C(=O)OC1CSSC1 Show InChI InChI=1S/C23H21NO6S2/c25-22(18-10-12-20(13-11-18)24(27)28)29-14-4-2-1-3-5-17-6-8-19(9-7-17)23(26)30-21-15-31-32-16-21/h6-13,21H,1-2,4,14-16H2	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	2.46E+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