null

SMILES: CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC

InChI Key: InChIKey=XITALKIEGXWISA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50428798   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50428798 (CHEMBL511132) Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428798 (CHEMBL511132) Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50428798 (CHEMBL511132) Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428798 (CHEMBL511132) Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50428798 (CHEMBL511132) Show SMILES CCCC(CCC)CN(C(=O)OC(C)(C)C)S(=O)(=O)NCCC(=O)OC Show InChI InChI=1S/C17H34N2O6S/c1-7-9-14(10-8-2)13-19(16(21)25-17(3,4)5)26(22,23)18-12-11-15(20)24-6/h14,18H,7-13H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1410-8 (2013) Article DOI: 10.1016/j.bmc.2012.10.048 BindingDB Entry DOI: 10.7270/Q2CV4K23
					More data for this Ligand-Target Pair