Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50275341'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50275341 (3-Metylsalicylic acid | CHEMBL448399) Show SMILES Cc1cccc(C(O)=O)c1O Show InChI InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.06E+7	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 uncompetitive 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				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50275341 (3-Metylsalicylic acid | CHEMBL448399) Show SMILES Cc1cccc(C(O)=O)c1O Show InChI InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+6	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				3D Structure (docked)