Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50515853'   

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))	BDBM50515853 (CHEMBL4573177) Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCC(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H20ClN3O6S/c21-13-3-1-12(2-4-13)19-16(20(28)23-10-9-18(26)27)11-17(25)24(19)14-5-7-15(8-6-14)31(22,29)30/h1-8,16,19H,9-11H2,(H,23,28)(H,26,27)(H2,22,29,30)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111642 BindingDB Entry DOI: 10.7270/Q2C250SX
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