Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50088778'   

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))	BDBM50088778 (CHEMBL275565 | N,N-dialkylthio-carbonylsulfenylami...) Show SMILES Cn1nc(s\c1=N\S(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1)S(N)(=O)=O Show InChI InChI=1S/C14H18N6O5S5/c1-19-12(27-13(16-19)29(15,21)22)18-30(23,24)11-4-2-10(3-5-11)17-28-14(26)20-6-8-25-9-7-20/h2-5,17H,6-9H2,1H3,(H2,15,21,22)/b18-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase I (CAI)				Bioorg Med Chem Lett 10: 1117-20 (2000) BindingDB Entry DOI: 10.7270/Q2WW7J6M
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