Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50211831'   

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))	BDBM50211831 (4-(2-((1H-pyrrol-2-yl)methyleneamino)ethyl)benzene...) Show SMILES NS(=O)(=O)c1ccc(CC\N=C\c2ccc[nH]2)cc1 Show InChI InChI=1S/C13H15N3O2S/c14-19(17,18)13-5-3-11(4-6-13)7-9-15-10-12-2-1-8-16-12/h1-6,8,10,16H,7,9H2,(H2,14,17,18)/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	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 Inhibition of human carbonic anhydrase 1				Bioorg Med Chem 15: 4336-50 (2007) Article DOI: 10.1016/j.bmc.2007.04.020 BindingDB Entry DOI: 10.7270/Q28916QG
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