Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50259371'   

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))	BDBM50259371 (CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk plot				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50259371 (CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50259371 (CHEMBL445982 | Ethyl-2-((3-(4-benzoyl-5-phenyl-3-(...) Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C36H28N8O7S2/c1-2-51-34(48)29(32(46)24-17-10-5-11-18-24)40-39-25-19-12-20-26(21-25)44-30(22-13-6-3-7-14-22)27(31(45)23-15-8-4-9-16-23)28(43-44)33(47)38-35-41-42-36(52-35)53(37,49)50/h3-21,39H,2H2,1H3,(H2,37,49,50)(H,38,41,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 2 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair