Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50424253'   

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))	BDBM50424253 (CHEMBL2314161) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C25H21N5O7S/c1-2-37-25(32)21-22(24(31)27-17-11-13-20(14-12-17)38(26,35)36)28-29(23(21)16-7-4-3-5-8-16)18-9-6-10-19(15-18)30(33)34/h3-15H,2H2,1H3,(H,27,31)(H2,26,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	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 1 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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