Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50106395'   

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))	BDBM50106395 (CHEMBL3601880) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(Br)c(=O)[nH]c1=O Show InChI InChI=1S/C11H9BrN2O4S/c1-7-2-4-8(5-3-7)19(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes CA1 using 4-nitrophenylacetate as substrate by esterase assay				Bioorg Med Chem Lett 25: 3261-3 (2015) Article DOI: 10.1016/j.bmcl.2015.05.073 BindingDB Entry DOI: 10.7270/Q2W37Z39
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