Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50130744'   

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))	BDBM50130744 (CHEMBL3633554) Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H21N7O4S/c26-23-20(14-28-32(23)17-10-12-18(13-11-17)37(27,35)36)24(33)30-29-22-19-8-4-5-9-21(19)31(25(22)34)15-16-6-2-1-3-7-16/h1-14H,15,26H2,(H,30,33)(H2,27,35,36)/b29-22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8
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