BDBM26617 4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxylic acid::Compound 28620

SMILES: OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O

InChI Key: InChIKey=HVFUYBNYHCZLSY-UHFFFAOYSA-N

Data: 3 KI  2 IC50  1 Other

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 = 26617   

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
phosphatase Cdc25 (Homo sapiens (Human))	BDBM26617 (4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...) Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by Lineweav...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM26617 (4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...) Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Competitive inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM26617 (4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...) Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Competitive reversible inhibition of N-terminal His6-tagged human CDC25B (377 to 550 residues) expressed in Escherichia coli BL21(DE3) cells using OM...				J Med Chem 62: 7089-7110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00632
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM26617 (4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...) Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25A catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM26617 (4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...) Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Napoli Federico II Curated by ChEMBL					Assay Description Inhibition of recombinant phosphatase activity of Cdc25B catalytic domain expressed in Escherichia coli BL21(DE3) using OMFP as substrate by spectrof...				J Med Chem 55: 4142-58 (2012) Article DOI: 10.1021/jm201624h BindingDB Entry DOI: 10.7270/Q2X34ZJ9
					More data for this Ligand-Target Pair
Apurinic-apyrimidinic endonuclease 1 (APE-1) (Homo sapiens (Human))	BDBM26617 (4-[(2-carboxyphenyl)carbonyl]benzene-1,2-dicarboxy...) Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O Show InChI InChI=1S/C16H10O7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.5	22
The Johns Hopkins University					Assay Description The screening assay was performed using 384-well microtiter plate first spotted with test compounds. Then Ape1 in reaction buffer was added to each w...				Mol Pharmacol 73: 669-77 (2008) Article DOI: 10.1124/mol.107.042622 BindingDB Entry DOI: 10.7270/Q2WS8RJX
					More data for this Ligand-Target Pair