Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50037223'   

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))	BDBM50037223 (CHEMBL3356274) Show SMILES NS(=O)(=O)c1ccc2nc(sc2c1)-n1cc(\C=N\O)c(n1)-c1ccccc1 Show InChI InChI=1S/C17H13N5O3S2/c18-27(24,25)13-6-7-14-15(8-13)26-17(20-14)22-10-12(9-19-23)16(21-22)11-4-2-1-3-5-11/h1-10,23H,(H2,18,24,25)/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.87E+4	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
					More data for this Ligand-Target Pair