Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 7' and Ligand = 'BDBM50237182'   

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 7 (Homo sapiens (Human))	BDBM50237182 (CHEMBL4067239) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C19H21F3N4O3S/c20-19(21,22)14-1-5-16(6-2-14)26-11-9-25(10-12-26)13-18(27)24-15-3-7-17(8-4-15)30(23,28)29/h1-8H,9-13H2,(H,24,27)(H2,23,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay				J Med Chem 60: 2456-2469 (2017) Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G
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