Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50030625   

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))	BDBM50299307 (2-(4-tert-butylbenzylideneamino)ethanesulfonamide ...) Show SMILES CC(C)(C)c1ccc(\C=N\CCS(N)(=O)=O)cc1 Show InChI InChI=1S/C13H20N2O2S/c1-13(2,3)12-6-4-11(5-7-12)10-15-8-9-18(14,16)17/h4-7,10H,8-9H2,1-3H3,(H2,14,16,17)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50229543 (4-(benzylideneamino)benzenesulfonamide | 4-benzyli...) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccccc1 Show InChI InChI=1S/C13H12N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-10H,(H2,14,16,17)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299303 (4-((4-tert-butylbenzylideneamino)methyl)benzenesul...) Show SMILES CC(C)(C)c1ccc(\C=N\Cc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N2O2S/c1-18(2,3)16-8-4-14(5-9-16)12-20-13-15-6-10-17(11-7-15)23(19,21)22/h4-12H,13H2,1-3H3,(H2,19,21,22)/b20-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299300 (4-(4-tert-butylbenzylideneamino)benzenesulfonamide...) Show SMILES CC(C)(C)c1ccc(\C=N\c2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C17H20N2O2S/c1-17(2,3)14-6-4-13(5-7-14)12-19-15-8-10-16(11-9-15)22(18,20)21/h4-12H,1-3H3,(H2,18,20,21)/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299302 (4-((benzylideneamino)methyl)benzenesulfonamide | C...) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccccc2)cc1 Show InChI InChI=1S/C14H14N2O2S/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-10H,11H2,(H2,15,17,18)/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299309 (2-(2-hydroxy-5-methoxybenzylideneamino)ethanesulfo...) Show SMILES COc1ccc(O)c(\C=N\CCS(N)(=O)=O)c1 Show InChI InChI=1S/C10H14N2O4S/c1-16-9-2-3-10(13)8(6-9)7-12-4-5-17(11,14)15/h2-3,6-7,13H,4-5H2,1H3,(H2,11,14,15)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	51.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299304 (4-((4-hydroxybenzylideneamino)methyl)benzenesulfon...) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2ccc(O)cc2)cc1 Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)14-7-3-12(4-8-14)10-16-9-11-1-5-13(17)6-2-11/h1-9,17H,10H2,(H2,15,18,19)/b16-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299301 (4-(2-hydroxy-5-methoxybenzylideneamino)benzenesulf...) Show SMILES COc1ccc(O)c(\C=N\c2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C14H14N2O4S/c1-20-12-4-7-14(17)10(8-12)9-16-11-2-5-13(6-3-11)21(15,18)19/h2-9,17H,1H3,(H2,15,18,19)/b16-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299292 (4-(benzylideneamino)benzoic acid | CHEMBL567820) Show SMILES OC(=O)c1ccc(cc1)\N=C\c1ccccc1 Show InChI InChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299305 (4-((2-hydroxy-5-methoxybenzylideneamino)methyl)ben...) Show SMILES COc1ccc(O)c(\C=N\Cc2ccc(cc2)S(N)(=O)=O)c1 Show InChI InChI=1S/C15H16N2O4S/c1-21-13-4-7-15(18)12(8-13)10-17-9-11-2-5-14(6-3-11)22(16,19)20/h2-8,10,18H,9H2,1H3,(H2,16,19,20)/b17-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299298 (CHEMBL575341 | methyl 4-(4-hydroxybenzylideneamino...) Show SMILES COC(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C15H13NO3/c1-19-15(18)12-4-6-13(7-5-12)16-10-11-2-8-14(17)9-3-11/h2-10,17H,1H3/b16-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299295 (4-(2-hydroxy-5-methoxybenzylideneamino)benzoic aci...) Show SMILES COc1ccc(O)c(\C=N\c2ccc(cc2)C(O)=O)c1 Show InChI InChI=1S/C15H13NO4/c1-20-13-6-7-14(17)11(8-13)9-16-12-4-2-10(3-5-12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299297 (CHEMBL572526 | methyl 4-(4-tert-butylbenzylideneam...) Show SMILES COC(=O)c1ccc(cc1)\N=C\c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C19H21NO2/c1-19(2,3)16-9-5-14(6-10-16)13-20-17-11-7-15(8-12-17)18(21)22-4/h5-13H,1-4H3/b20-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299306 (2-(benzylideneamino)ethanesulfonamide | CHEMBL5743...) Show SMILES NS(=O)(=O)CC\N=C\c1ccccc1 Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)7-6-11-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,10,12,13)/b11-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299293 (4-(4-tert-butylbenzylideneamino)benzoic acid | CHE...) Show SMILES CC(C)(C)c1ccc(\C=N\c2ccc(cc2)C(O)=O)cc1 Show InChI InChI=1S/C18H19NO2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(20)21/h4-12H,1-3H3,(H,20,21)/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299294 (4-(4-hydroxybenzylideneamino)benzoic acid | CHEMBL...) Show SMILES OC(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C14H11NO3/c16-13-7-1-10(2-8-13)9-15-12-5-3-11(4-6-12)14(17)18/h1-9,16H,(H,17,18)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299308 (2-(4-hydroxybenzylideneamino)ethanesulfonamide | C...) Show SMILES NS(=O)(=O)CC\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C9H12N2O3S/c10-15(13,14)6-5-11-7-8-1-3-9(12)4-2-8/h1-4,7,12H,5-6H2,(H2,10,13,14)/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	236	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50229571 (4-(4-hydroxy-benzylideneamino)-benzenesulfonamide ...) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C13H12N2O3S/c14-19(17,18)13-7-3-11(4-8-13)15-9-10-1-5-12(16)6-2-10/h1-9,16H,(H2,14,17,18)/b15-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	702	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299299 (CHEMBL575342 | methyl 4-(2-hydroxy-5-methoxybenzyl...) Show SMILES COC(=O)c1ccc(cc1)\N=C\c1cc(OC)ccc1O Show InChI InChI=1S/C16H15NO4/c1-20-14-7-8-15(18)12(9-14)10-17-13-5-3-11(4-6-13)16(19)21-2/h3-10,18H,1-2H3/b17-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50299296 (CHEMBL574452 | methyl 4-(benzylideneamino)benzoate) Show SMILES COC(=O)c1ccc(cc1)\N=C\c1ccccc1 Show InChI InChI=1S/C15H13NO2/c1-18-15(17)13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-11H,1H3/b16-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ENSCM-UMII-CNRS 5635 Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow technique				Bioorg Med Chem Lett 19: 6014-7 (2009) Article DOI: 10.1016/j.bmcl.2009.09.047 BindingDB Entry DOI: 10.7270/Q2FQ9WP1
					More data for this Ligand-Target Pair