Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 7' and Ligand = 'BDBM50408524'   

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))	BDBM50408524 (CHEMBL4174088) Show SMILES NS(=O)(=O)c1ccc(C[Se]c2ccc(NC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)cc1 Show InChI InChI=1S/C34H25N3O7S2Se/c35-46(42,43)24-8-1-19(2-9-24)18-47-25-10-3-20(4-11-25)36-34(45)37-21-5-12-26(29(15-21)33(40)41)32-27-13-6-22(38)16-30(27)44-31-17-23(39)7-14-28(31)32/h1-17,38H,18H2,(H,40,41)(H2,35,42,43)(H2,36,37,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				Eur J Med Chem 154: 210-219 (2018) Article DOI: 10.1016/j.ejmech.2018.05.026 BindingDB Entry DOI: 10.7270/Q2VX0K2M
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