Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM193813'   

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 (Bos taurus)	BDBM193813 (N-(4-(bis(5-chloro-1H-indol-3-yl)methyl)phenyl)-4-...) Show SMILES [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(cc1)C(c1c[nH]c2ccc(Cl)cc12)c1c[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C29H19Cl3N4O4S/c30-17-3-9-26-21(11-17)23(14-33-26)29(24-15-34-27-10-4-18(31)12-22(24)27)16-1-5-19(6-2-16)35-41(39,40)20-7-8-25(32)28(13-20)36(37)38/h1-15,29,33-35H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.89E+4	n/a	n/a	n/a	n/a	7.2	n/a
Universiti Teknologi MARA (UiTM)					Assay Description This was assay performed using buffer containing Tris and HEPES at the pH of 7.2-7.9 and a total concentration of 20 mM. 96-well plates were filled w...				Bioorg Chem 68: 90-104 (2016) Article DOI: 10.1016/j.bioorg.2016.07.011 BindingDB Entry DOI: 10.7270/Q2CJ8C95
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