Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50155546'   

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))	BDBM50155546 (CHEMBL445650 | N-[4-({[5-(aminosulfonyl)-1,3,4-thi...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)NNc3c(F)c(F)c(F)c(F)c3F)cc2)s1 Show InChI InChI=1S/C15H10F5N7O4S4/c16-7-8(17)10(19)12(11(20)9(7)18)23-24-13(32)22-5-1-3-6(4-2-5)35(30,31)27-14-25-26-15(33-14)34(21,28)29/h1-4,23H,(H,25,27)(H2,21,28,29)(H2,22,24,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Binding affinity towards human cloned carbonic anhydrase I				Bioorg Med Chem Lett 14: 5775-80 (2004) Article DOI: 10.1016/j.bmcl.2004.09.062 BindingDB Entry DOI: 10.7270/Q2154HT4
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