Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM236545'   

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 1 (Homo sapiens (Human))	BDBM236545 (hCA inhibitor, 2) Show SMILES COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C17H18O5/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.03E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Artvin Coruh University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a spect...				J Enzyme Inhib Med Chem 27: 467-75 (2012) Article DOI: 10.3109/14756366.2011.596836 BindingDB Entry DOI: 10.7270/Q2CN72TT
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