Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50288310'   

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 2 (Homo sapiens (Human))	BDBM50288310 (CHEMBL4170908) Show SMILES Cl.CC(C)N(CC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O)C(C)C Show InChI InChI=1S/C24H35N3O5S.ClH/c1-17(2)27(18(3)4)15-21(28)16-32-22-9-7-20(8-10-22)24(29)26-14-13-19-5-11-23(12-6-19)33(25,30)31;/h5-12,17-18,21,28H,13-16H2,1-4H3,(H,26,29)(H2,25,30,31);1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay				J Med Chem 61: 5380-5394 (2018) Article DOI: 10.1021/acs.jmedchem.8b00625 BindingDB Entry DOI: 10.7270/Q2XS5XX3
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