Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50037238'   

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))	BDBM50037238 (CHEMBL3356264) Show SMILES COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1nc2ccc(cc2s1)S(N)(=O)=O Show InChI InChI=1S/C18H14N4O5S2/c1-27-11-4-2-10(3-5-11)16-13(17(23)24)9-22(21-16)18-20-14-7-6-12(29(19,25)26)8-15(14)28-18/h2-9H,1H3,(H,23,24)(H2,19,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method				Bioorg Med Chem 22: 6945-52 (2014) Article DOI: 10.1016/j.bmc.2014.10.018 BindingDB Entry DOI: 10.7270/Q20V8FCK
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