Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50080648'   

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))	BDBM50080648 (2-Amino-N-[4-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylsu...) Show SMILES NCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C10H12N6O5S3/c11-5-8(17)13-6-1-3-7(4-2-6)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h1-4H,5,11H2,(H,13,17)(H,14,16)(H2,12,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant carbonic anhydrase I (CA1)				J Med Chem 42: 3690-700 (1999) Article DOI: 10.1021/jm9901879 BindingDB Entry DOI: 10.7270/Q26Q1XXC
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