BDBM82190 Salicylic acid derivative, compound 2

SMILES: Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O

InChI Key: InChIKey=LBDOGIZEEBHJSE-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 82190   

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
EPHA4 (Homo sapiens (Human))	BDBM82190 (Salicylic acid derivative, compound 2) Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Sanford-Burnham Medical Research Institute					Assay Description Protein A-coasted wells (from Pierce Biotechnology) were used to immobilize Eph receptor Fc fusion proteins (from R&D systems)incubated at 1 ug/ml in...				Chem Biol Drug Des 78: 667-78 (2011) Article DOI: 10.1111/j.1747-0285.2011.01199.x BindingDB Entry DOI: 10.7270/Q2FN14QN
					More data for this Ligand-Target Pair
Pyruvate kinase (PKM2) (Homo sapiens (Human))	BDBM82190 (Salicylic acid derivative, compound 2) Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beth Israel Deaconess Medical Center, Inc. US Patent					Assay Description Primary screening was performed using PKM2 in the presence of FBP. Compounds were chosen as potential "hits" if the compound demonstrated inhibition ...				US Patent US8877791 (2014) BindingDB Entry DOI: 10.7270/Q2D21WBN
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM82190 (Salicylic acid derivative, compound 2) Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 24: 786-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.100 BindingDB Entry DOI: 10.7270/Q27D2Z3M
					More data for this Ligand-Target Pair
Pyruvate kinase (PKM2) (Homo sapiens (Human))	BDBM82190 (Salicylic acid derivative, compound 2) Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Guizhou Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM2 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p...				Bioorg Med Chem Lett 27: 5404-5408 (2017) Article DOI: 10.1016/j.bmcl.2017.11.011 BindingDB Entry DOI: 10.7270/Q2V40XS7
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM82190 (Salicylic acid derivative, compound 2) Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 24: 786-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.100 BindingDB Entry DOI: 10.7270/Q27D2Z3M
					More data for this Ligand-Target Pair
Pyruvate kinase (PKM2) (Homo sapiens (Human))	BDBM82190 (Salicylic acid derivative, compound 2) Show SMILES Cc1ccc(C)n1-c1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-12(15)11(7-10)13(16)17/h3-7,15H,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Guizhou Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6/SUMO-tagged PKM1 expressed in Escherichia coli BL21 using PEP as substrate incubated for 30 mins in p...				Bioorg Med Chem Lett 27: 5404-5408 (2017) Article DOI: 10.1016/j.bmcl.2017.11.011 BindingDB Entry DOI: 10.7270/Q2V40XS7
					More data for this Ligand-Target Pair