Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50082753'   

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))	BDBM50082753 (CHEMBL3423254) Show SMILES Cc1ccc(\C=N/CCc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C16H18N2O2S/c1-13-2-4-15(5-3-13)12-18-11-10-14-6-8-16(9-7-14)21(17,19)20/h2-9,12H,10-11H2,1H3,(H2,17,19,20)/b18-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
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