Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50098356'   

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))	BDBM50098356 (CHEMBL3594417) Show SMILES NS(=O)(=O)c1ccc2nc(NC(=O)Cn3ncc(C#N)c3NC(=S)Nc3ccccc3)sc2c1 Show InChI InChI=1S/C20H16N8O3S3/c21-9-12-10-23-28(18(12)27-19(32)24-13-4-2-1-3-5-13)11-17(29)26-20-25-15-7-6-14(34(22,30)31)8-16(15)33-20/h1-8,10H,11H2,(H2,22,30,31)(H2,24,27,32)(H,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jazan University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4989-99 (2015) Article DOI: 10.1016/j.bmc.2015.05.019 BindingDB Entry DOI: 10.7270/Q2668FX2
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