Compile Data Set for Download or QSAR

Found 2033 hits with Last Name = 'del prete' and Initial = 's'   

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))	BDBM50261590 (CHEMBL4059984) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C17H18N2O5S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(20)19-13-5-7-14(8-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261599 (CHEMBL4100697) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2cccc(F)c2)cc1 Show InChI InChI=1S/C15H13FN2O3S/c16-12-3-1-2-11(10-12)4-9-15(19)18-13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50025357 (CHEMBL3337907) Show SMILES Cc1cccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c12 Show InChI InChI=1S/C20H20N4O4S2/c1-3-11-24-19(26)18-13(2)5-4-6-16(18)23-20(24)29-12-17(25)22-14-7-9-15(10-8-14)30(21,27)28/h3-10H,1,11-12H2,2H3,(H,22,25)(H2,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5133-40 (2014) Article DOI: 10.1016/j.bmc.2014.08.015 BindingDB Entry DOI: 10.7270/Q2QR4ZPS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50025386 (CHEMBL3337909) Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C24H22N4O4S2/c1-16-7-12-21-20(13-16)23(30)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5133-40 (2014) Article DOI: 10.1016/j.bmc.2014.08.015 BindingDB Entry DOI: 10.7270/Q2QR4ZPS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50025374 (CHEMBL3337908) Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c2c1 Show InChI InChI=1S/C20H20N4O4S2/c1-3-10-24-19(26)16-11-13(2)4-9-17(16)23-20(24)29-12-18(25)22-14-5-7-15(8-6-14)30(21,27)28/h3-9,11H,1,10,12H2,2H3,(H,22,25)(H2,21,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 22: 5133-40 (2014) Article DOI: 10.1016/j.bmc.2014.08.015 BindingDB Entry DOI: 10.7270/Q2QR4ZPS
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 4184-90 (2016) Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 4184-90 (2016) Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM81920 (p-Hydroxy-benzene derivative, 3a) Show SMILES NS(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse, CNR, Via Pietro Castellino 111, Napoli, Italy; Università degliStudi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico, Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem 25: 3555-3561 (2017) Article DOI: 10.1016/j.bmc.2017.05.007 BindingDB Entry DOI: 10.7270/Q20Z75PZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 526-31 (2015) Article DOI: 10.1016/j.bmc.2014.12.009 BindingDB Entry DOI: 10.7270/Q20K2B62
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM81920 (p-Hydroxy-benzene derivative, 3a) Show SMILES NS(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 1115-20 (2016) Article DOI: 10.1016/j.bmc.2016.01.037 BindingDB Entry DOI: 10.7270/Q26W9CXH
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261599 (CHEMBL4100697) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2cccc(F)c2)cc1 Show InChI InChI=1S/C15H13FN2O3S/c16-12-3-1-2-11(10-12)4-9-15(19)18-13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degliStudi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay				Bioorg Med Chem 23: 1728-34 (2015) Article DOI: 10.1016/j.bmc.2015.02.045 BindingDB Entry DOI: 10.7270/Q22R3T9X
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM81920 (p-Hydroxy-benzene derivative, 3a) Show SMILES NS(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem Lett 27: 490-495 (2017) Article DOI: 10.1016/j.bmcl.2016.12.035 BindingDB Entry DOI: 10.7270/Q2PN97XS
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 26: 1253-9 (2016) Article DOI: 10.1016/j.bmcl.2016.01.023 BindingDB Entry DOI: 10.7270/Q21Z4685
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM81920 (p-Hydroxy-benzene derivative, 3a) Show SMILES NS(=O)(=O)c1ccc(O)cc1 Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 26: 1941-6 (2016) Article DOI: 10.1016/j.bmcl.2016.03.014 BindingDB Entry DOI: 10.7270/Q27946J2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay method				Bioorg Med Chem Lett 25: 3550-5 (2015) Article DOI: 10.1016/j.bmcl.2015.06.079 BindingDB Entry DOI: 10.7270/Q23B61XS
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261600 (CHEMBL4098830) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H13FN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261608 (CHEMBL4082708) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H13F3N2O3S/c17-16(18,19)12-4-1-11(2-5-12)3-10-15(22)21-13-6-8-14(9-7-13)25(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367288 (CHEMBL4175989) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 Show InChI InChI=1S/C26H19ClN2O6S/c1-14-19-10-21-22(15-2-4-16(27)5-3-15)13-34-23(21)12-24(19)35-26(31)20(14)11-25(30)29-17-6-8-18(9-7-17)36(28,32)33/h2-10,12-13H,11H2,1H3,(H,29,30)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 4184-90 (2016) Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degliStudi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay				Bioorg Med Chem 23: 1728-34 (2015) Article DOI: 10.1016/j.bmc.2015.02.045 BindingDB Entry DOI: 10.7270/Q22R3T9X
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 526-31 (2015) Article DOI: 10.1016/j.bmc.2014.12.009 BindingDB Entry DOI: 10.7270/Q20K2B62
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 1115-20 (2016) Article DOI: 10.1016/j.bmc.2016.01.037 BindingDB Entry DOI: 10.7270/Q26W9CXH
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem Lett 27: 490-495 (2017) Article DOI: 10.1016/j.bmcl.2016.12.035 BindingDB Entry DOI: 10.7270/Q2PN97XS
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay method				Bioorg Med Chem Lett 25: 3550-5 (2015) Article DOI: 10.1016/j.bmcl.2015.06.079 BindingDB Entry DOI: 10.7270/Q23B61XS
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 26: 1253-9 (2016) Article DOI: 10.1016/j.bmcl.2016.01.023 BindingDB Entry DOI: 10.7270/Q21Z4685
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse, CNR, Via Pietro Castellino 111, Napoli, Italy; Università degliStudi di Firenze, Dipartimento Di Chimica, Laboratorio di Chimica Bioinorganica, Polo Scientifico, Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem 25: 3555-3561 (2017) Article DOI: 10.1016/j.bmc.2017.05.007 BindingDB Entry DOI: 10.7270/Q20Z75PZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNR Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 4184-90 (2016) Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50561903 (CHEMBL4761063) Show SMILES Cc1cccc(c1)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA2 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00417 BindingDB Entry DOI: 10.7270/Q2VH5SJ4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50209858 (CHEMBL3884577) Show SMILES Cc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14N4O2S2/c1-11-2-4-12(5-3-11)15-10-21-17(19-15)24-16(20-21)13-6-8-14(9-7-13)25(18,22)23/h2-10H,1H3,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367330 (CHEMBL4168142) Show SMILES Cc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(=O)Nc4ccc(cc4)S(N)(=O)=O)c(C)c3cc12 Show InChI InChI=1S/C27H22N2O6S/c1-15-3-5-17(6-4-15)23-14-34-24-13-25-20(11-22(23)24)16(2)21(27(31)35-25)12-26(30)29-18-7-9-19(10-8-18)36(28,32)33/h3-11,13-14H,12H2,1-2H3,(H,29,30)(H2,28,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261609 (CHEMBL4075764) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C16H13N3O3S/c17-11-13-3-1-12(2-4-13)5-10-16(20)19-14-6-8-15(9-7-14)23(18,21)22/h1-10H,(H,19,20)(H2,18,21,22)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261605 (CHEMBL4063412) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C16H13F3N2O4S/c17-16(18,19)25-13-6-1-11(2-7-13)3-10-15(22)21-12-4-8-14(9-5-12)26(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261604 (CHEMBL4075560) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C15H13ClN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50367290 (CHEMBL4160871) Show SMILES Cc1c(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 Show InChI InChI=1S/C26H20N2O6S/c1-15-19-11-21-22(16-5-3-2-4-6-16)14-33-23(21)13-24(19)34-26(30)20(15)12-25(29)28-17-7-9-18(10-8-17)35(27,31)32/h2-11,13-14H,12H2,1H3,(H,28,29)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 12 by stopped flow CO2 hydration method				ACS Med Chem Lett 9: 725-729 (2018) Article DOI: 10.1021/acsmedchemlett.8b00170 BindingDB Entry DOI: 10.7270/Q21Z46Z4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50209889 (CHEMBL3884342) Show SMILES COc1ccc(cc1)-c1cn2nc(sc2n1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H14N4O3S2/c1-24-13-6-2-11(3-7-13)15-10-21-17(19-15)25-16(20-21)12-4-8-14(9-5-12)26(18,22)23/h2-10H,1H3,(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261598 (CHEMBL4081738) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H13F3N2O3S/c17-16(18,19)12-3-1-2-11(10-12)4-9-15(22)21-13-5-7-14(8-6-13)25(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261607 (CHEMBL4068644) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(F)c(F)c2)cc1 Show InChI InChI=1S/C15H12F2N2O3S/c16-13-7-1-10(9-14(13)17)2-8-15(20)19-11-3-5-12(6-4-11)23(18,21)22/h1-9H,(H,19,20)(H2,18,21,22)/b8-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261594 (CHEMBL4105196) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C18H20N2O6S/c1-24-15-10-12(11-16(25-2)18(15)26-3)4-9-17(21)20-13-5-7-14(8-6-13)27(19,22)23/h4-11H,1-3H3,(H,20,21)(H2,19,22,23)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50210047 (CHEMBL3885288) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nn2cc(nc2s1)-c1ccccc1 Show InChI InChI=1S/C16H12N4O2S2/c17-24(21,22)13-8-6-12(7-9-13)15-19-20-10-14(18-16(20)23-15)11-4-2-1-3-5-11/h1-10H,(H2,17,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human membrane bound carbonic anhydrase 12 by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50049520 (CHEMBL3314185) Show SMILES COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H27N3O7S/c1-31-21(27)19(25-20(26)17-10-12-18(13-11-17)33(23,29)30)9-5-6-14-24-22(28)32-15-16-7-3-2-4-8-16/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,24,28)(H,25,26)(H2,23,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 826-30 (2014) Article DOI: 10.1021/ml500192a BindingDB Entry DOI: 10.7270/Q27P912D
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50049520 (CHEMBL3314185) Show SMILES COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H27N3O7S/c1-31-21(27)19(25-20(26)17-10-12-18(13-11-17)33(23,29)30)9-5-6-14-24-22(28)32-15-16-7-3-2-4-8-16/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3,(H,24,28)(H,25,26)(H2,23,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 4006-10 (2014) Article DOI: 10.1016/j.bmcl.2014.06.024 BindingDB Entry DOI: 10.7270/Q2SX6FVX
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261597 (CHEMBL4100843) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C16H15FN2O4S/c1-23-13-6-2-11(15(17)10-13)3-9-16(20)19-12-4-7-14(8-5-12)24(18,21)22/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261606 (CHEMBL4089760) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccccc2OC(F)F)cc1 Show InChI InChI=1S/C16H14F2N2O4S/c17-16(18)24-14-4-2-1-3-11(14)5-10-15(21)20-12-6-8-13(9-7-12)25(19,22)23/h1-10,16H,(H,20,21)(H2,19,22,23)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261597 (CHEMBL4100843) Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C16H15FN2O4S/c1-23-13-6-2-11(15(17)10-13)3-9-16(20)19-12-4-7-14(8-5-12)24(18,21)22/h2-10H,1H3,(H,19,20)(H2,18,21,22)/b9-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50261605 (CHEMBL4063412) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C16H13F3N2O4S/c17-16(18,19)25-13-6-1-11(2-7-13)3-10-15(22)21-12-4-8-14(9-5-12)26(20,23)24/h1-10H,(H,21,22)(H2,20,23,24)/b10-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-9 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50261596 (CHEMBL4072219) Show SMILES CC(C)Oc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H20N2O4S/c1-13(2)24-16-8-3-14(4-9-16)5-12-18(21)20-15-6-10-17(11-7-15)25(19,22)23/h3-13H,1-2H3,(H,20,21)(H2,19,22,23)/b12-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-12 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50261600 (CHEMBL4098830) Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(F)cc2)cc1 Show InChI InChI=1S/C15H13FN2O3S/c16-12-4-1-11(2-5-12)3-10-15(19)18-13-6-8-14(9-7-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b10-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India. Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 5726-5732 (2017) Article DOI: 10.1016/j.bmc.2017.08.047 BindingDB Entry DOI: 10.7270/Q2T72KXC
					More data for this Ligand-Target Pair

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