Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50141783'   

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))	BDBM50141783 (2,6-Dimethyl-4-phenyl-1-(4-sulfamoyl-benzyl)-pyrid...) Show SMILES Cc1cc(cc(C)[n+]1Cc1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C20H21N2O2S/c1-15-12-19(18-6-4-3-5-7-18)13-16(2)22(15)14-17-8-10-20(11-9-17)25(21,23)24/h3-13H,14H2,1-2H3,(H2,21,23,24)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 14: 869-73 (2004) Article DOI: 10.1016/j.bmcl.2003.12.029 BindingDB Entry DOI: 10.7270/Q24M953W
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