Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50428804'   

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))	BDBM50428804 (CHEMBL229902 | N,N,N'',N''-Tetrabutylsulfamide) Show SMILES CCCCN(CCCC)S(=O)(=O)N(CCCC)CCCC Show InChI InChI=1S/C16H36N2O2S/c1-5-9-13-17(14-10-6-2)21(19,20)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
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