Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50351141'   

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))	BDBM50351141 (CHEMBL1817672) Show SMILES COC1=C(C2NS(=O)(=O)c3cnccc3N2C=C1)S(N)(=O)=O |c:18,t:2| Show InChI InChI=1S/C11H12N4O5S2/c1-20-8-3-5-15-7-2-4-13-6-9(7)22(18,19)14-11(15)10(8)21(12,16)17/h2-6,11,14H,1H3,(H2,12,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Gdansk Curated by ChEMBL					Assay Description Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 46: 4403-10 (2011) Article DOI: 10.1016/j.ejmech.2011.07.011 BindingDB Entry DOI: 10.7270/Q2RF5VDJ
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