Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50205595'   

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 4 (Homo sapiens (Human))	BDBM50205595 (CHEMBL3955992) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1cccc(c1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15| Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-12-10-17(11-13-18)32-19-6-2-8-21(33)24(19)23(25-20(32)7-3-9-22(25)34)15-4-1-5-16(14-15)26-28-30-31-29-26/h1,4-5,10-14,23H,2-3,6-9H2,(H2,27,35,36)(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...				Bioorg Med Chem Lett 27: 86-89 (2017) Article DOI: 10.1016/j.bmcl.2016.11.028 BindingDB Entry DOI: 10.7270/Q25D8TT1
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