Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 8243   

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))	BDBM237337 (N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57.7	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237338 (N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulf...) Show SMILES CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-3-22(4-2)13-14-27-17-7-5-16(6-8-17)15-21-29(25,26)19-11-9-18(10-12-19)28(20,23)24/h5-12,21H,3-4,13-15H2,1-2H3,(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59.8	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237337 (N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65.8	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237338 (N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulf...) Show SMILES CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-3-22(4-2)13-14-27-17-7-5-16(6-8-17)15-21-29(25,26)19-11-9-18(10-12-19)28(20,23)24/h5-12,21H,3-4,13-15H2,1-2H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81.1	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237336 (4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237336 (4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM237337 (N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	499	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM237338 (N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulf...) Show SMILES CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-3-22(4-2)13-14-27-17-7-5-16(6-8-17)15-21-29(25,26)19-11-9-18(10-12-19)28(20,23)24/h5-12,21H,3-4,13-15H2,1-2H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	508	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM237337 (N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...) Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM237336 (4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	611	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM237336 (4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	645	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM237338 (N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulf...) Show SMILES CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-3-22(4-2)13-14-27-17-7-5-16(6-8-17)15-21-29(25,26)19-11-9-18(10-12-19)28(20,23)24/h5-12,21H,3-4,13-15H2,1-2H3,(H2,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	737	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
					More data for this Ligand-Target Pair