Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50044324   

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 12 (Homo sapiens (Human))	BDBM50004346 (CHEMBL3237848) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004348 (CHEMBL3237850) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12 Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004350 (CHEMBL3237852) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004336 (CHEMBL3237853) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12 Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004344 (CHEMBL3237857) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12 Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(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	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50013048 (CHEMBL3261396) Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004340 (CHEMBL3237854) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12 Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(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	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004349 (CHEMBL3237851) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004342 (CHEMBL3237855) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004342 (CHEMBL3237855) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(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	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50013049 (CHEMBL3261397) Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004340 (CHEMBL3237854) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12 Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)	PDB MMDB NCI pathway 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
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004349 (CHEMBL3237851) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004342 (CHEMBL3237855) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004340 (CHEMBL3237854) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12 Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(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	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50013049 (CHEMBL3261397) Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50013048 (CHEMBL3261396) Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004342 (CHEMBL3237855) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(N)(=O)=O)nc12 Show InChI InChI=1S/C12H13N7O2S/c1-7-10-11(19(2)18-7)16-17-12(15-10)14-8-3-5-9(6-4-8)22(13,20)21/h3-6H,1-2H3,(H2,13,20,21)(H,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004336 (CHEMBL3237853) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12 Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	652	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004346 (CHEMBL3237848) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	667	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004348 (CHEMBL3237850) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12 Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	703	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004344 (CHEMBL3237857) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12 Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	719	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004349 (CHEMBL3237851) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	772	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50013048 (CHEMBL3261396) Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	774	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004344 (CHEMBL3237857) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12 Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	824	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50013049 (CHEMBL3261397) Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	826	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50004350 (CHEMBL3237852) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	918	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004350 (CHEMBL3237852) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004351 (CHEMBL3233061) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCC3)nc12 Show InChI InChI=1S/C16H19N7O2S/c1-11-14-15(22(2)21-11)19-20-16(18-14)17-12-5-7-13(8-6-12)26(24,25)23-9-3-4-10-23/h5-8H,3-4,9-10H2,1-2H3,(H,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004336 (CHEMBL3237853) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12 Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004348 (CHEMBL3237850) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12 Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004346 (CHEMBL3237848) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50013049 (CHEMBL3261397) Show SMILES Cc1nn(C)c2nnc(Nc3ccccc3)nc12 Show InChI InChI=1S/C12H12N6/c1-8-10-11(18(2)17-8)15-16-12(14-10)13-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50013048 (CHEMBL3261396) Show SMILES Cc1nn(C)c2nnc(nc12)S(C)(=O)=O Show InChI InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004350 (CHEMBL3237852) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCNCC3)nc12 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(2)23-12)21-22-17(20-15)19-13-4-6-14(7-5-13)28(26,27)25-10-3-8-18-9-11-25/h4-7,18H,3,8-11H2,1-2H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004336 (CHEMBL3237853) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCCCC3)nc12 Show InChI InChI=1S/C17H21N7O2S/c1-12-15-16(23(2)22-12)20-21-17(19-15)18-13-6-8-14(9-7-13)27(25,26)24-10-4-3-5-11-24/h6-9H,3-5,10-11H2,1-2H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004348 (CHEMBL3237850) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)N3CCNCC3)nc12 Show InChI InChI=1S/C16H20N8O2S/c1-11-14-15(23(2)22-11)20-21-16(19-14)18-12-3-5-13(6-4-12)27(25,26)24-9-7-17-8-10-24/h3-6,17H,7-10H2,1-2H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50004346 (CHEMBL3237848) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2nnc3n(C)nc(C)c3n2)cc1 Show InChI InChI=1S/C17H22N8O2S/c1-12-15-16(24(3)22-12)20-21-17(19-15)18-13-4-6-14(7-5-13)28(26,27)25-10-8-23(2)9-11-25/h4-7H,8-11H2,1-3H3,(H,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004340 (CHEMBL3237854) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN)nc12 Show InChI InChI=1S/C14H18N8O2S/c1-9-12-13(22(2)21-9)19-20-14(18-12)17-10-3-5-11(6-4-10)25(23,24)16-8-7-15/h3-6,16H,7-8,15H2,1-2H3,(H,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004344 (CHEMBL3237857) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCOCC3)nc12 Show InChI InChI=1S/C18H24N8O3S/c1-13-16-17(25(2)24-13)22-23-18(21-16)20-14-3-5-15(6-4-14)30(27,28)19-7-8-26-9-11-29-12-10-26/h3-6,19H,7-12H2,1-2H3,(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50004349 (CHEMBL3237851) Show SMILES Cc1nn(C)c2nnc(Nc3ccc(cc3)S(=O)(=O)NCCO)nc12 Show InChI InChI=1S/C14H17N7O3S/c1-9-12-13(21(2)20-9)18-19-14(17-12)16-10-3-5-11(6-4-10)25(23,24)15-7-8-22/h3-6,15,22H,7-8H2,1-2H3,(H,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay				Bioorg Med Chem 22: 2643-7 (2014) Article DOI: 10.1016/j.bmc.2014.03.029 BindingDB Entry DOI: 10.7270/Q2KW5HM1
					More data for this Ligand-Target Pair