Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 3' and Ligand = 'BDBM50504902'   

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 3 (Homo sapiens (Human))	BDBM50504902 (CHEMBL4466735) Show SMILES NS(=O)(=O)c1cc(C(=O)NC2CCCCC2)c(cc1Cl)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H21ClN2O5S2/c20-16-12-17(28(24,25)14-9-5-2-6-10-14)15(11-18(16)29(21,26)27)19(23)22-13-7-3-1-4-8-13/h2,5-6,9-13H,1,3-4,7-8H2,(H,22,23)(H2,21,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human carbonic anhydrase 3 expressed in Escherichia coli expression system assessed as kinetic dissociation constant ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111825 BindingDB Entry DOI: 10.7270/Q2VX0KS1
					More data for this Ligand-Target Pair