BDBM50219498 2-hydroxy-5-sulfo-benzoic acid::5-Sulfosalicylic acid::CHEMBL229241::MECLOCYCLINE SULFOSALICYLATE

SMILES: OC(=O)c1cc(ccc1O)S(O)(=O)=O

InChI Key: InChIKey=YCPXWRQRBFJBPZ-UHFFFAOYSA-N

Data: 2 KI  3 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 = 50219498   

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))	BDBM50219498 (2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...) Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	7.70E+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 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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50219498 (2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...) Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	1.92E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50219498 (2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...) Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.20E+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
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50219498 (2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...) Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of PTP1B				Bioorg Med Chem 15: 6535-48 (2007) Article DOI: 10.1016/j.bmc.2007.07.010 BindingDB Entry DOI: 10.7270/Q2GM871J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50219498 (2-hydroxy-5-sulfo-benzoic acid | 5-Sulfosalicylic ...) Show SMILES OC(=O)c1cc(ccc1O)S(O)(=O)=O Show InChI InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.90E+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