Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50037232'   

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))	BDBM50037232 (CHEMBL3356267) Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(C(O)=O)c(n1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C17H11N5O6S2/c18-30(27,28)11-5-6-13-14(7-11)29-17(19-13)21-8-12(16(23)24)15(20-21)9-1-3-10(4-2-9)22(25)26/h1-8H,(H,23,24)(H2,18,27,28)	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	381	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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