Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50363499'   

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))	BDBM50363499 (CHEMBL1946087) Show SMILES COc1cc(CC2CCCCC2=O)cc(Br)c1OC Show InChI InChI=1S/C15H19BrO3/c1-18-14-9-10(8-12(16)15(14)19-2)7-11-5-3-4-6-13(11)17/h8-9,11H,3-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Artvin£oruh University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate				Bioorg Med Chem Lett 22: 1352-7 (2012) Article DOI: 10.1016/j.bmcl.2011.12.069 BindingDB Entry DOI: 10.7270/Q2WH2QF4
					More data for this Ligand-Target Pair