BDBM50088054 CHEMBL3427132

SMILES: CCCCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O

InChI Key: InChIKey=HWGCQBITAVIFGZ-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 = 50088054   

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
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50088054 (CHEMBL3427132) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:19| Show InChI InChI=1S/C24H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21-22(26)28-24(2,3)29-23(21)27/h26H,4-19H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formati...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50088054 (CHEMBL3427132) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:19| Show InChI InChI=1S/C24H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21-22(26)28-24(2,3)29-23(21)27/h26H,4-19H2,1-3H3	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	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate in...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (Homo sapiens (Human))	BDBM50088054 (CHEMBL3427132) Show SMILES CCCCCCCCCCCCCCCCCC(=O)C1=C(O)OC(C)(C)OC1=O |c:19| Show InChI InChI=1S/C24H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21-22(26)28-24(2,3)29-23(21)27/h26H,4-19H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Campinas Curated by ChEMBL					Assay Description Inhibition of full length 6-His-N-terminal tagged human LMW-PTP expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP a...				Eur J Med Chem 97: 42-54 (2015) Article DOI: 10.1016/j.ejmech.2015.04.036 BindingDB Entry DOI: 10.7270/Q2TF002F
					More data for this Ligand-Target Pair