Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 3' and Ligand = 'BDBM50454314'   

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))	BDBM50454314 (CHEMBL4215863) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CN1CCc2ccccc12 Show InChI InChI=1S/C16H15ClN2O3S/c17-13-6-5-12(9-16(13)23(18,21)22)15(20)10-19-8-7-11-3-1-2-4-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22)	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	750	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) assess...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (Homo sapiens (Human))	BDBM50454314 (CHEMBL4215863) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CN1CCc2ccccc12 Show InChI InChI=1S/C16H15ClN2O3S/c17-13-6-5-12(9-16(13)23(18,21)22)15(20)10-19-8-7-11-3-1-2-4-14(11)19/h1-6,9H,7-8,10H2,(H2,18,21,22)	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 N-terminal His6-tagged carbonic anhydrase 3 (4 to 260 residues) expressed in Escherichia coli BL21 (DE3) in pre...				Bioorg Med Chem 26: 675-687 (2018) Article DOI: 10.1016/j.bmc.2017.12.035 BindingDB Entry DOI: 10.7270/Q2H997S0
					More data for this Ligand-Target Pair