Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50109146'   

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))	BDBM50109146 (CHEMBL3601532) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C17H19FN4O4S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26-27(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5619-25 (2015) Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1
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