Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50118209'   

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))	BDBM50118209 (CHEMBL3613287) Show SMILES NS(=O)(=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H14NO10PS/c7-19(14,15)6-5(10)4(9)3(8)2(17-6)1-16-18(11,12)13/h2-6,8-10H,1H2,(H2,7,14,15)(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	922	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay				J Med Chem 58: 7580-90 (2015) Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591
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