Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50065998'   

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))	BDBM50065998 (CHEMBL3261389) Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H22N6O4S/c1-4-28-15-6-5-13(29(25,26)24-7-9-27-10-8-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h5-6,11H,4,7-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration assay				Bioorg Med Chem 23: 1421-9 (2015) Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03
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