Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 7' and Ligand = 'BDBM246569'   

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))	BDBM246569 (4-[(2-Isobutyl-1H-benzimidazol-1-yl)acetyl]benzene...) Show SMILES CC(C)Cc1nc2ccccc2n1CC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H21N3O3S/c1-13(2)11-19-21-16-5-3-4-6-17(16)22(19)12-18(23)14-7-9-15(10-8-14)26(20,24)25/h3-10,13H,11-12H2,1-2H3,(H2,20,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.56	n/a	n/a	n/a	7.0	n/a
Vilnius University					Assay Description The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...				J Enzyme Inhib Med Chem 29: 124-31 (2014) Article DOI: 10.3109/14756366.2012.757223 BindingDB Entry DOI: 10.7270/Q2RV0MMK
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