Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50259367'   

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))	BDBM50259367 (CHEMBL513122 | Ethyl-1-(4-aminophenyl)-5-phenyl-3-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1ccc(N)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-8-13(22)9-11-14)17(15)12-6-4-3-5-7-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	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 1 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 1 (Homo sapiens (Human))	BDBM50259367 (CHEMBL513122 | Ethyl-1-(4-aminophenyl)-5-phenyl-3-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1ccc(N)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-8-13(22)9-11-14)17(15)12-6-4-3-5-7-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	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 1 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 1 (Homo sapiens (Human))	BDBM50259367 (CHEMBL513122 | Ethyl-1-(4-aminophenyl)-5-phenyl-3-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1ccc(N)cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C21H19N7O5S2/c1-2-33-19(30)15-16(18(29)24-20-25-26-21(34-20)35(23,31)32)27-28(14-10-8-13(22)9-11-14)17(15)12-6-4-3-5-7-12/h3-11H,2,22H2,1H3,(H2,23,31,32)(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	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 1 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