Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50415861'   

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 2 (Homo sapiens (Human))	BDBM50415861 (CHEMBL383517) Show SMILES NCCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H19N3O3S/c13-8-1-2-12(16)15-9-7-10-3-5-11(6-4-10)19(14,17)18/h3-6H,1-2,7-9,13H2,(H,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human CA2				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50415861 (CHEMBL383517) Show SMILES NCCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H19N3O3S/c13-8-1-2-12(16)15-9-7-10-3-5-11(6-4-10)19(14,17)18/h3-6H,1-2,7-9,13H2,(H,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 826-30 (2014) Article DOI: 10.1021/ml500192a BindingDB Entry DOI: 10.7270/Q27P912D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50415861 (CHEMBL383517) Show SMILES NCCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H19N3O3S/c13-8-1-2-12(16)15-9-7-10-3-5-11(6-4-10)19(14,17)18/h3-6H,1-2,7-9,13H2,(H,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 4006-10 (2014) Article DOI: 10.1016/j.bmcl.2014.06.024 BindingDB Entry DOI: 10.7270/Q2SX6FVX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50415861 (CHEMBL383517) Show SMILES NCCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C12H19N3O3S/c13-8-1-2-12(16)15-9-7-10-3-5-11(6-4-10)19(14,17)18/h3-6H,1-2,7-9,13H2,(H,15,16)(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.57E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GITAM University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3089-93 (2010) Article DOI: 10.1016/j.bmcl.2010.03.104 BindingDB Entry DOI: 10.7270/Q28C9XGR
					More data for this Ligand-Target Pair