Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50133399'   

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))	BDBM50133399 (CHEMBL3632835) Show SMILES COC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H17NO5S/c1-27-21(24)18-8-6-17(7-9-18)20(23)16-4-2-14(3-5-16)15-10-12-19(13-11-15)28(22,25)26/h2-13H,1H3,(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
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