BDBM50351775 CHEMBL1823963

SMILES: COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1OC

InChI Key: InChIKey=GOFVWKFVLNCYPN-NTEUORMPSA-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 = 50351775   

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))	BDBM50351775 (CHEMBL1823963) Show SMILES COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1OC Show InChI InChI=1S/C31H28FNO6/c1-37-28-13-8-20(17-29(28)38-2)9-14-30(34)33-27(31(35)36)16-21-7-10-23-18-25(12-11-22(23)15-21)39-19-24-5-3-4-6-26(24)32/h3-15,17-18,27H,16,19H2,1-2H3,(H,33,34)(H,35,36)/b14-9+	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	7.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDC25B				Eur J Med Chem 46: 3630-8 (2011) Article DOI: 10.1016/j.ejmech.2011.05.027 BindingDB Entry DOI: 10.7270/Q2W09685
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50351775 (CHEMBL1823963) Show SMILES COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1OC Show InChI InChI=1S/C31H28FNO6/c1-37-28-13-8-20(17-29(28)38-2)9-14-30(34)33-27(31(35)36)16-21-7-10-23-18-25(12-11-22(23)15-21)39-19-24-5-3-4-6-26(24)32/h3-15,17-18,27H,16,19H2,1-2H3,(H,33,34)(H,35,36)/b14-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of TCPTP				Eur J Med Chem 46: 3630-8 (2011) Article DOI: 10.1016/j.ejmech.2011.05.027 BindingDB Entry DOI: 10.7270/Q2W09685
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50351775 (CHEMBL1823963) Show SMILES COc1ccc(\C=C\C(=O)NC(Cc2ccc3cc(OCc4ccccc4F)ccc3c2)C(O)=O)cc1OC Show InChI InChI=1S/C31H28FNO6/c1-37-28-13-8-20(17-29(28)38-2)9-14-30(34)33-27(31(35)36)16-21-7-10-23-18-25(12-11-22(23)15-21)39-19-24-5-3-4-6-26(24)32/h3-15,17-18,27H,16,19H2,1-2H3,(H,33,34)(H,35,36)/b14-9+	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	4.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yanbian University Curated by ChEMBL					Assay Description Inhibition of PTP1B using p-nitrophenyl phosphate as substrate				Eur J Med Chem 46: 3630-8 (2011) Article DOI: 10.1016/j.ejmech.2011.05.027 BindingDB Entry DOI: 10.7270/Q2W09685
					More data for this Ligand-Target Pair