Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 7' and Ligand = 'BDBM50380145'   

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 7 (Homo sapiens (Human))	BDBM50380145 (CHEMBL2010992) Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H17N3O4S2/c1-2-3-11-8-14(20)18-15(17-11)23-9-13(19)10-4-6-12(7-5-10)24(16,21)22/h4-8H,2-3,9H2,1H3,(H2,16,21,22)(H,17,18,20)	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	n/a	250	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380145 (CHEMBL2010992) Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H17N3O4S2/c1-2-3-11-8-14(20)18-15(17-11)23-9-13(19)10-4-6-12(7-5-10)24(16,21)22/h4-8H,2-3,9H2,1H3,(H2,16,21,22)(H,17,18,20)	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	n/a	250	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay				Bioorg Med Chem 21: 6937-47 (2013) Article DOI: 10.1016/j.bmc.2013.09.029 BindingDB Entry DOI: 10.7270/Q2S46VZ9
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50380145 (CHEMBL2010992) Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C15H17N3O4S2/c1-2-3-11-8-14(20)18-15(17-11)23-9-13(19)10-4-6-12(7-5-10)24(16,21)22/h4-8H,2-3,9H2,1H3,(H2,16,21,22)(H,17,18,20)	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	n/a	140	n/a	n/a	n/a	n/a	n/a
Vilnius University Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay				Eur J Med Chem 51: 259-70 (2012) Article DOI: 10.1016/j.ejmech.2012.02.050 BindingDB Entry DOI: 10.7270/Q2FJ2HSF
					More data for this Ligand-Target Pair