Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50211595'   

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))	BDBM50211595 (CHEMBL3918390) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2c(NC(=O)c3ccc(Br)cc3)onc2-c2c(Cl)cccc2Cl)cc1 |(15.83,-5.06,;14.49,-5.83,;12.94,-5.83,;13.71,-4.49,;14.49,-7.37,;15.82,-8.13,;15.83,-9.66,;14.5,-10.44,;14.5,-11.97,;15.83,-12.74,;17.16,-11.97,;15.84,-14.27,;14.6,-15.17,;13.14,-14.71,;11.99,-15.75,;12.32,-17.26,;10.52,-15.28,;10.19,-13.77,;8.72,-13.3,;7.57,-14.35,;6.1,-13.88,;7.91,-15.87,;9.39,-16.33,;15.08,-16.63,;16.62,-16.63,;17.08,-15.16,;18.62,-15.16,;19.38,-13.83,;18.6,-12.49,;20.92,-13.82,;21.7,-15.16,;20.94,-16.49,;19.39,-16.5,;18.62,-17.84,;13.17,-9.67,;13.17,-8.14,)| Show InChI InChI=1S/C23H15BrCl2N4O5S/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	108	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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