Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50098365'   

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))	BDBM50098365 (CHEMBL3594408) Show SMILES Cc1ccc(OCc2nnc(SCC(=O)Nc3nc4ccc(cc4s3)S(N)(=O)=O)n2N)cc1Cl Show InChI InChI=1S/C19H18ClN7O4S3/c1-10-2-3-11(6-13(10)20)31-8-16-25-26-19(27(16)21)32-9-17(28)24-18-23-14-5-4-12(34(22,29)30)7-15(14)33-18/h2-7H,8-9,21H2,1H3,(H2,22,29,30)(H,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	222	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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