Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50137674'   

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 9 (Homo sapiens (Human))	BDBM50137674 (Benzene-1,4-disulfonic acid 1-amide 4-[(3-chloro-1...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2[nH]cc(Cl)c12 Show InChI InChI=1S/C14H12ClN3O4S2/c15-11-8-17-12-2-1-3-13(14(11)12)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	24	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 Compound was evaluated for inhibition against human carbonic anhydrase IX				Bioorg Med Chem Lett 14: 217-23 (2003) BindingDB Entry DOI: 10.7270/Q2154HMF
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