BDBM48319 4-amino-2-hydroxy-benzoic acid::4-amino-2-hydroxybenzoic acid::4-azanyl-2-oxidanyl-benzoic acid::Aminosalicylic Acid::ISONICOTINIC ACID HYDRAZIDE P-AMINOSALICYLATE SALT::MLS000069579::P-AMINOSALICYLIC ACID::Parasal::SMR000058830::cid_11988145

SMILES: Nc1ccc(C(O)=O)c(O)c1

InChI Key: InChIKey=WUBBRNOQWQTFEX-UHFFFAOYSA-N

Data: 2 KI  4 IC50  3 Kd

PDB links: 5 PDB IDs match this monomer.

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 10 hits for monomerid = 48319   

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 1 (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	2.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burk plot				Bioorg Med Chem 16: 9101-5 (2008) Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.23E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burk plot				Bioorg Med Chem 16: 9101-5 (2008) Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Protein-tyrosine phosphatase 1B (PTP 1B) site 2 Ligands were identified using [13C]-labeled protein and their Dissociation Constants were determined				J Med Chem 46: 3437-40 (2003) Article DOI: 10.1021/jm034088d BindingDB Entry DOI: 10.7270/Q2WW7H1Z
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Dissociation constant of the compound against protein tyrosine phosphatase PTB1B receptor was determined				J Med Chem 46: 4232-5 (2003) Article DOI: 10.1021/jm034122o BindingDB Entry DOI: 10.7270/Q2BP0264
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry				Bioorg Med Chem 16: 9101-5 (2008) Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Dissociation constant for Protein-tyrosine phosphatase 1B				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	6.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM48319 (4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...) Show SMILES Nc1ccc(C(O)=O)c(O)c1 Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Bioorg Med Chem 16: 9101-5 (2008) Article DOI: 10.1016/j.bmc.2008.09.028 BindingDB Entry DOI: 10.7270/Q2GB23W2
					More data for this Ligand-Target Pair