BDBM50268461 CHEMBL4098715

SMILES: CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1

InChI Key: InChIKey=PABQFZVSLPCEQH-UHFFFAOYSA-N

Data: 1 KI  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 5 hits for monomerid = 50268461   

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))	BDBM50268461 (CHEMBL4098715) Show SMILES CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1 Show InChI InChI=1S/C30H32O10/c1-4-7-16-10-19(31)13-22(32)26(16)29(37)40-21-12-18(9-6-3)27(24(34)15-21)30(38)39-20-11-17(8-5-2)25(28(35)36)23(33)14-20/h10-15,31-34H,4-9H2,1-3H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Life Science, Biotechnology, Dalian University of Technology, Dalian, Liaoning 116024, China. Curated by ChEMBL					Assay Description Competitive inhibition of PTP1B (unknown origin) at 0.1 to 0.4 uM using p-nitrophenyl phosphate substrate incubated for 30 mins by Lineweaver-Burk do...				Bioorg Med Chem Lett 27: 3382-3385 (2017) Article DOI: 10.1016/j.bmcl.2017.06.001 BindingDB Entry DOI: 10.7270/Q2G1639V
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR) (Homo sapiens (Human))	BDBM50268461 (CHEMBL4098715) Show SMILES CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1 Show InChI InChI=1S/C30H32O10/c1-4-7-16-10-19(31)13-22(32)26(16)29(37)40-21-12-18(9-6-3)27(24(34)15-21)30(38)39-20-11-17(8-5-2)25(28(35)36)23(33)14-20/h10-15,31-34H,4-9H2,1-3H3,(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Life Science, Biotechnology, Dalian University of Technology, Dalian, Liaoning 116024, China. Curated by ChEMBL					Assay Description Inhibition of PTPLAR (unknown origin) using p-nitrophenyl phosphate substrate incubated for 30 mins				Bioorg Med Chem Lett 27: 3382-3385 (2017) Article DOI: 10.1016/j.bmcl.2017.06.001 BindingDB Entry DOI: 10.7270/Q2G1639V
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50268461 (CHEMBL4098715) Show SMILES CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1 Show InChI InChI=1S/C30H32O10/c1-4-7-16-10-19(31)13-22(32)26(16)29(37)40-21-12-18(9-6-3)27(24(34)15-21)30(38)39-20-11-17(8-5-2)25(28(35)36)23(33)14-20/h10-15,31-34H,4-9H2,1-3H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
School of Life Science, Biotechnology, Dalian University of Technology, Dalian, Liaoning 116024, China. Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate substrate incubated for 30 mins				Bioorg Med Chem Lett 27: 3382-3385 (2017) Article DOI: 10.1016/j.bmcl.2017.06.001 BindingDB Entry DOI: 10.7270/Q2G1639V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50268461 (CHEMBL4098715) Show SMILES CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1 Show InChI InChI=1S/C30H32O10/c1-4-7-16-10-19(31)13-22(32)26(16)29(37)40-21-12-18(9-6-3)27(24(34)15-21)30(38)39-20-11-17(8-5-2)25(28(35)36)23(33)14-20/h10-15,31-34H,4-9H2,1-3H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
School of Life Science, Biotechnology, Dalian University of Technology, Dalian, Liaoning 116024, China. Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate incubated for 30 mins				Bioorg Med Chem Lett 27: 3382-3385 (2017) Article DOI: 10.1016/j.bmcl.2017.06.001 BindingDB Entry DOI: 10.7270/Q2G1639V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50268461 (CHEMBL4098715) Show SMILES CCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(O)=O)c(CCC)c2)c(CCC)c1 Show InChI InChI=1S/C30H32O10/c1-4-7-16-10-19(31)13-22(32)26(16)29(37)40-21-12-18(9-6-3)27(24(34)15-21)30(38)39-20-11-17(8-5-2)25(28(35)36)23(33)14-20/h10-15,31-34H,4-9H2,1-3H3,(H,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
School of Life Science, Biotechnology, Dalian University of Technology, Dalian, Liaoning 116024, China. Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin) using p-nitrophenyl phosphate substrate incubated for 30 mins				Bioorg Med Chem Lett 27: 3382-3385 (2017) Article DOI: 10.1016/j.bmcl.2017.06.001 BindingDB Entry DOI: 10.7270/Q2G1639V
					More data for this Ligand-Target Pair