Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50237177'   

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))	BDBM50237177 (CHEMBL4102291) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ncccn2)cc1 Show InChI InChI=1S/C17H23N7O3S/c18-28(26,27)15-4-2-14(3-5-15)22-17(25)21-8-9-23-10-12-24(13-11-23)16-19-6-1-7-20-16/h1-7H,8-13H2,(H2,18,26,27)(H2,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description In vitro binding to Tachykinin receptor 2				J Med Chem 60: 2456-2469 (2017) Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G
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