Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50143808'   

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))	BDBM50143808 (CHEMBL3759134) Show SMILES CCCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(23)22(21-18)16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay				Bioorg Med Chem Lett 26: 1337-41 (2016) Article DOI: 10.1016/j.bmcl.2015.12.016 BindingDB Entry DOI: 10.7270/Q2RV0QJX
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