Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM246518'   

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 1 (Homo sapiens (Human))	BDBM246518 (N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methane...) Show SMILES COc1cc2CC(Cc2cc1OC)NS(C)(=O)=O Show InChI InChI=1S/C12H17NO4S/c1-16-11-6-8-4-10(13-18(3,14)15)5-9(8)7-12(11)17-2/h6-7,10,13H,4-5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60E+4	n/a	2.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Atatürk University					Assay Description The effect of novel sulfonamides 28-33 on HCA isozyme activity was determined colorimetrically using CO2-hydration method of Wilbur and Anderson29 de...				J Enzyme Inhib Med Chem 29: 35-42 (2014) Article DOI: 10.3109/14756366.2012.750311 BindingDB Entry DOI: 10.7270/Q2513X4M
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