Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50174350'   

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))	BDBM50174350 (CHEMBL3613514) Show SMILES c1c(-c2nc3ccccc3[nH]2)c(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4/c1-3-9-16(10-4-1)21-18(15-26(25-21)17-11-5-2-6-12-17)22-23-19-13-7-8-14-20(19)24-22/h1-15H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 min to 72 hrs by stopped flow CO2 hydrase assay				Bioorg Med Chem 24: 2907-2913 (2016) Article DOI: 10.1016/j.bmc.2016.04.061 BindingDB Entry DOI: 10.7270/Q2Q81FZ6
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