Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50211602'   

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))	BDBM50211602 (CHEMBL3918052) Show SMILES COc1ccc(cc1)C(=O)Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1c(Cl)cccc1Cl |(4.95,-14.93,;6.1,-13.89,;7.57,-14.35,;8.72,-13.3,;10.19,-13.77,;10.52,-15.28,;9.39,-16.33,;7.91,-15.87,;11.99,-15.75,;12.32,-17.26,;13.14,-14.71,;14.6,-15.17,;15.08,-16.63,;16.62,-16.63,;17.08,-15.16,;15.84,-14.27,;15.83,-12.74,;17.16,-11.97,;14.5,-11.97,;14.5,-10.44,;15.83,-9.66,;15.82,-8.13,;14.49,-7.37,;13.17,-8.14,;13.17,-9.67,;14.49,-5.83,;15.83,-5.06,;12.94,-5.83,;13.71,-4.49,;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,)| Show InChI InChI=1S/C24H18Cl2N4O6S/c1-35-15-9-5-13(6-10-15)22(31)29-24-20(21(30-36-24)19-17(25)3-2-4-18(19)26)23(32)28-14-7-11-16(12-8-14)37(27,33)34/h2-12H,1H3,(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	71	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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