Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50424245'   

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))	BDBM50424245 (CHEMBL2314158) Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C31H30N6O8S/c1-18(38)25(30(42)45-31(2,3)4)35-34-21-11-8-12-22(17-21)37-27(19-9-6-5-7-10-19)24(29(40)41)26(36-37)28(39)33-20-13-15-23(16-14-20)46(32,43)44/h5-17,34H,1-4H3,(H,33,39)(H,40,41)(H2,32,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis				Bioorg Med Chem 21: 21-7 (2012) Article DOI: 10.1016/j.bmc.2012.11.012 BindingDB Entry DOI: 10.7270/Q2NV9KJR
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