Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50430548'   

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))	BDBM50430548 (CHEMBL2336894) Show SMILES NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 Show InChI InChI=1S/C20H15ClN4O2S/c21-14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)20(25-24-19)23-15-9-11-16(12-10-15)28(22,26)27/h1-12H,(H,23,25)(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay				Eur J Med Chem 62: 597-604 (2013) Article DOI: 10.1016/j.ejmech.2013.01.030 BindingDB Entry DOI: 10.7270/Q2X92CNX
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