Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50211594'   

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))	BDBM50211594 (CHEMBL3927339) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)onc2-c2c(Cl)cccc2Cl)cc1 |(15.83,-4.94,;14.49,-5.71,;12.94,-5.71,;13.71,-4.37,;14.49,-7.25,;15.82,-8.01,;15.83,-9.55,;14.5,-10.32,;14.5,-11.86,;15.83,-12.62,;17.16,-11.85,;15.84,-14.15,;14.6,-15.06,;13.14,-14.59,;11.99,-15.63,;12.32,-17.15,;10.52,-15.17,;10.19,-13.65,;8.72,-13.19,;7.57,-14.23,;6.1,-13.76,;7.91,-15.75,;9.39,-16.21,;15.08,-16.51,;16.62,-16.51,;17.08,-15.04,;18.62,-15.04,;19.38,-13.71,;18.6,-12.37,;20.92,-13.7,;21.7,-15.04,;20.94,-16.38,;19.39,-16.38,;18.62,-17.72,;13.17,-9.55,;13.17,-8.02,)| Show InChI InChI=1S/C23H15Cl3N4O5S/c24-13-6-4-12(5-7-13)21(31)29-23-19(20(30-35-23)18-16(25)2-1-3-17(18)26)22(32)28-14-8-10-15(11-9-14)36(27,33)34/h1-11H,(H,28,32)(H,29,31)(H2,27,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 4 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
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