Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50237173'   

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 2 (Homo sapiens (Human))	BDBM50237173 (CHEMBL4081575) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C21H27N5O5S/c22-32(29,30)19-8-6-18(7-9-19)24-20(27)23-10-11-25-12-14-26(15-13-25)21(28)31-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H2,22,29,30)(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.30	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 2 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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