Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50515846'   

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))	BDBM50515846 (CHEMBL4586708) Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H29ClN4O4S/c25-18-6-4-17(5-7-18)23-21(24(31)27-12-3-15-28-13-1-2-14-28)16-22(30)29(23)19-8-10-20(11-9-19)34(26,32)33/h4-11,21,23H,1-3,12-16H2,(H,27,31)(H2,26,32,33)/t21-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.890	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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