Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50429225'   

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))	BDBM50429225 (CHEMBL2332770) Show SMILES NS(=O)(=O)c1ccc(cc1)N1S(=O)(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H10N2O6S3/c13-21(15,16)10-7-5-9(6-8-10)14-22(17,18)11-3-1-2-4-12(11)23(14,19)20/h1-8H,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-1-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay				Bioorg Med Chem 21: 1386-91 (2013) Article DOI: 10.1016/j.bmc.2012.12.037 BindingDB Entry DOI: 10.7270/Q2474C61
					More data for this Ligand-Target Pair