BDBM45791 4-(1,3-dioxo-2-isoindolyl)benzoic acid::4-(1,3-dioxoisoindol-2-yl)benzoic acid::4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid::4-phthalimidobenzoic acid::MLS-0091937.0001::cid_246499

SMILES: OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=HBXCMGPWVGKNRS-UHFFFAOYSA-N

Data: 5 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 9 hits for monomerid = 45791   

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
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	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	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Sodium channel protein type 2 alpha subunit (Homo sapiens (Human))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article	5.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to Nav 1.2 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0256-y BindingDB Entry DOI: 10.7270/Q20P12XT
					More data for this Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX1-mediated prostaglandin alpha production by enzyme immuno assay				Bioorg Med Chem Lett 23: 2601-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.107 BindingDB Entry DOI: 10.7270/Q2SJ1PHN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
King Saud University Curated by ChEMBL					Assay Description Inhibition of ovine COX2-mediated prostaglandin alpha production by enzyme immuno assay				Bioorg Med Chem Lett 23: 2601-5 (2013) Article DOI: 10.1016/j.bmcl.2013.02.107 BindingDB Entry DOI: 10.7270/Q2SJ1PHN
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM45791 (4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...) Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair