Found 3146 hits with Last Name = 'maresca' and Initial = 'a' 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 9
(Homo sapiens (Human)) | BDBM50153971
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.150 | 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 9 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11625
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem Lett 20: 4376-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50153971
(4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.350 | 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 12 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 13
(Homo sapiens (Human)) | BDBM11625
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 13 after 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem Lett 20: 4376-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50382706
(Benzyldithiocarbamate sodium salt (I) | CHEMBL2023...)Show InChI InChI=1S/C8H9NS2/c10-8(11)9-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | 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 CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349850
(CHEMBL1738787)Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.75 | 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 9 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349850
(CHEMBL1738787)Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers
Curated by ChEMBL
| Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1555-63 (2013)
Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50382722
(CHEMBL2023728)Show InChI InChI=1S/C6H10N2S4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)/p-2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.780 | 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 CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10882
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.800 | 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 full length CA7 by stopped flow CO2 hydration assay |
Bioorg Med Chem Lett 19: 1371-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.038 BindingDB Entry DOI: 10.7270/Q2JW8FS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50349847
(CHEMBL1813208)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCCC(O)=O)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C15H19N7O6S/c16-29(27,28)10-3-1-9(2-4-10)19-15-21-13(17-7-5-11(23)24)20-14(22-15)18-8-6-12(25)26/h1-4H,5-8H2,(H,23,24)(H,25,26)(H2,16,27,28)(H3,17,18,19,20,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.850 | 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 12 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50382728
(CHEMBL2023727)Show InChI InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)/p-1 | 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
| 0.880 | 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 CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50258299
(1-({[5-(Aminosulfonyl)-3-(2,3,4,5,6-pentafluorophe...)Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 |(8.2,-44.53,;6.87,-45.29,;6.87,-46.84,;5.53,-47.6,;5.53,-49.14,;4.2,-46.84,;2.87,-47.6,;1.53,-46.83,;1.53,-45.29,;.2,-47.6,;.06,-49.13,;-1.45,-49.47,;-2.22,-50.81,;-3.76,-50.81,;-4.53,-49.48,;-3.76,-48.15,;-2.24,-48.15,;-1.21,-46.98,;-1.64,-45.03,;-.5,-44,;.97,-44.47,;-.83,-42.49,;.31,-41.45,;-2.29,-42.02,;-2.62,-40.52,;-3.43,-43.06,;-4.9,-42.59,;-3.1,-44.57,;-4.24,-45.6,;-6.07,-49.48,;-7.59,-49.48,;-6.07,-47.95,;-6.07,-51.03,;4.2,-45.29,;2.86,-44.53,;5.53,-44.53,)| Show InChI InChI=1S/C23H17F5N4O3S/c1-9-6-10(2)32(11(3)7-9)31-23(33)22-15(16-17(24)19(26)21(28)20(27)18(16)25)13-8-12(36(29,34)35)4-5-14(13)30-22/h4-8H,1-3H3,(H3-,29,30,31,33,34,35)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM10887
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r| Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/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
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Hebrew University of Jerusalem
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay |
J Med Chem 54: 3977-81 (2011)
Article DOI: 10.1021/jm200209n BindingDB Entry DOI: 10.7270/Q2736R8S |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50237495
(CHEMBL4092504)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H18FN3O3S2/c1-12-18(28(21,25)26)27-19(22-12)23(2)17(24)10-13-6-8-14(9-7-13)15-4-3-5-16(20)11-15/h3-9,11H,10H2,1-2H3,(H2,21,25,26) | 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
| 0.900 | 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 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50237365
(CHEMBL4090611)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25) | 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
| 0.900 | 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 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237365
(CHEMBL4090611)Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O Show InChI InChI=1S/C19H19N3O3S2/c1-13-18(27(20,24)25)26-19(21-13)22(2)17(23)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.900 | 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 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM11625
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 14 after 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem Lett 20: 4376-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(Homo sapiens (Human)) | BDBM50349847
(CHEMBL1813208)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NCCC(O)=O)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C15H19N7O6S/c16-29(27,28)10-3-1-9(2-4-10)19-15-21-13(17-7-5-11(23)24)20-14(22-15)18-8-6-12(25)26/h1-4H,5-8H2,(H,23,24)(H,25,26)(H2,16,27,28)(H3,17,18,19,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.920 | 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 14 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258298
(1-(3-(3-methoxyphenyl)-5-sulfamoyl-1H-indole-2-car...)Show SMILES COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C Show InChI InChI=1S/C24H24N4O4S/c1-14-10-15(2)28(16(3)11-14)27-24(29)23-22(17-6-5-7-18(12-17)32-4)20-13-19(33(25,30)31)8-9-21(20)26-23/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50382722
(CHEMBL2023728)Show InChI InChI=1S/C6H10N2S4/c9-5(10)7-1-2-8(4-3-7)6(11)12/h1-4H2,(H,9,10)(H,11,12)/p-2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.920 | 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 CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Mycobacterium tuberculosis) | BDBM50258299
(1-({[5-(Aminosulfonyl)-3-(2,3,4,5,6-pentafluorophe...)Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 |(8.2,-44.53,;6.87,-45.29,;6.87,-46.84,;5.53,-47.6,;5.53,-49.14,;4.2,-46.84,;2.87,-47.6,;1.53,-46.83,;1.53,-45.29,;.2,-47.6,;.06,-49.13,;-1.45,-49.47,;-2.22,-50.81,;-3.76,-50.81,;-4.53,-49.48,;-3.76,-48.15,;-2.24,-48.15,;-1.21,-46.98,;-1.64,-45.03,;-.5,-44,;.97,-44.47,;-.83,-42.49,;.31,-41.45,;-2.29,-42.02,;-2.62,-40.52,;-3.43,-43.06,;-4.9,-42.59,;-3.1,-44.57,;-4.24,-45.6,;-6.07,-49.48,;-7.59,-49.48,;-6.07,-47.95,;-6.07,-51.03,;4.2,-45.29,;2.86,-44.53,;5.53,-44.53,)| Show InChI InChI=1S/C23H17F5N4O3S/c1-9-6-10(2)32(11(3)7-9)31-23(33)22-15(16-17(24)19(26)21(28)20(27)18(16)25)13-8-12(36(29,34)35)4-5-14(13)30-22/h4-8H,1-3H3,(H3-,29,30,31,33,34,35)/p+1 | KEGG
UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258299
(1-({[5-(Aminosulfonyl)-3-(2,3,4,5,6-pentafluorophe...)Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2c(F)c(F)c(F)c(F)c2F)S(N)(=O)=O)c(C)c1 |(8.2,-44.53,;6.87,-45.29,;6.87,-46.84,;5.53,-47.6,;5.53,-49.14,;4.2,-46.84,;2.87,-47.6,;1.53,-46.83,;1.53,-45.29,;.2,-47.6,;.06,-49.13,;-1.45,-49.47,;-2.22,-50.81,;-3.76,-50.81,;-4.53,-49.48,;-3.76,-48.15,;-2.24,-48.15,;-1.21,-46.98,;-1.64,-45.03,;-.5,-44,;.97,-44.47,;-.83,-42.49,;.31,-41.45,;-2.29,-42.02,;-2.62,-40.52,;-3.43,-43.06,;-4.9,-42.59,;-3.1,-44.57,;-4.24,-45.6,;-6.07,-49.48,;-7.59,-49.48,;-6.07,-47.95,;-6.07,-51.03,;4.2,-45.29,;2.86,-44.53,;5.53,-44.53,)| Show InChI InChI=1S/C23H17F5N4O3S/c1-9-6-10(2)32(11(3)7-9)31-23(33)22-15(16-17(24)19(26)21(28)20(27)18(16)25)13-8-12(36(29,34)35)4-5-14(13)30-22/h4-8H,1-3H3,(H3-,29,30,31,33,34,35)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50382728
(CHEMBL2023727)Show InChI InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.950 | 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 CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50382714
(CHEMBL2023719)Show InChI InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.950 | 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 CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349848
(CHEMBL1813209)Show SMILES CC(Nc1nc(Cl)nc(Nc2ccc(cc2)S(N)(=O)=O)n1)C(O)=O Show InChI InChI=1S/C12H13ClN6O4S/c1-6(9(20)21)15-11-17-10(13)18-12(19-11)16-7-2-4-8(5-3-7)24(14,22)23/h2-6H,1H3,(H,20,21)(H2,14,22,23)(H2,15,16,17,18,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.960 | 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 9 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50382713
(CHEMBL2021946)Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.960 | 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 CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50258681
(1-(3-(4-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...)Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Br)cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50258678
(1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.960 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50258680
(1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...)Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258716
(1-({[5-(Aminosulfonyl)-3-(4-bromophenyl)-1H-indol-...)Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C Show InChI InChI=1S/C24H24N4O3S/c1-14-5-7-18(8-6-14)22-20-13-19(32(25,30)31)9-10-21(20)26-23(22)24(29)27-28-16(3)11-15(2)12-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50382714
(CHEMBL2023719)Show InChI InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/p-1 | 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
| 0.970 | 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 CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Zn finger protein
(Nicotiana tabacum) | BDBM50332026
(8-acetyl-7-propoxy-2H-chromen-2-one | CHEMBL128859...)Show InChI InChI=1S/C14H14O4/c1-3-8-17-11-6-4-10-5-7-12(16)18-14(10)13(11)9(2)15/h4-7H,3,8H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method |
Bioorg Med Chem Lett 20: 7255-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258714
(1-({[5-(Aminosulfonyl)-3-(2-bromophenyl)-1H-indol-...)Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2C)S(N)(=O)=O)c(C)c1 |(7.26,-10.03,;5.72,-10.03,;4.94,-8.69,;3.41,-8.7,;2.63,-7.37,;2.65,-10.03,;1.11,-10.03,;.34,-11.36,;1.11,-12.69,;-1.2,-11.36,;-2.12,-12.62,;-3.59,-12.14,;-4.92,-12.91,;-6.26,-12.14,;-6.26,-10.59,;-4.93,-9.82,;-3.59,-10.59,;-2.12,-10.11,;-1.64,-8.64,;-.13,-8.33,;.34,-6.86,;-.69,-5.72,;-2.2,-6.04,;-2.67,-7.51,;-4.18,-7.83,;-7.59,-9.82,;-8.93,-9.05,;-6.82,-8.49,;-8.35,-11.16,;3.41,-11.36,;2.64,-12.7,;4.95,-11.36,)| Show InChI InChI=1S/C24H24N4O3S/c1-14-11-16(3)28(17(4)12-14)27-24(29)23-22(19-8-6-5-7-15(19)2)20-13-18(32(25,30)31)9-10-21(20)26-23/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50382714
(CHEMBL2023719)Show InChI InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)/p-1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.990 | 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 CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method |
J Med Chem 55: 1721-30 (2012)
Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50237369
(CHEMBL4084758)Show SMILES Cc1nc(sc1S(N)(=O)=O)N(C1CC1)C(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H21N3O3S2/c1-14-20(29(22,26)27)28-21(23-14)24(18-11-12-18)19(25)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3,(H2,22,26,27) | 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
| 1 | 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 9 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Zn finger protein
(Nicotiana tabacum) | BDBM50332025
(8-acetyl-7-ethoxy-2H-chromen-2-one | CHEMBL1288595)Show InChI InChI=1S/C13H12O4/c1-3-16-10-6-4-9-5-7-11(15)17-13(9)12(10)8(2)14/h4-7H,3H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method |
Bioorg Med Chem Lett 20: 7255-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.094 BindingDB Entry DOI: 10.7270/Q2416X9P |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50237363
(CHEMBL4100366)Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1 Show InChI InChI=1S/C19H20N4O3S2/c1-3-15-18(28(20,25)26)27-19(22-15)23(2)17(24)12-13-7-9-14(10-8-13)16-6-4-5-11-21-16/h4-11H,3,12H2,1-2H3,(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1 | 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 assessed as reduction in CO2 hydration preincubated for 15 mins prior to testing measured for 10... |
J Med Chem 60: 3154-3164 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00183 BindingDB Entry DOI: 10.7270/Q2CF9SCC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50167355
(CHEMBL189526 | {4-Chloro-6-[2-(4-sulfamoyl-phenyl)...)Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCC(O)=O)n2)cc1 Show InChI InChI=1S/C13H15ClN6O4S/c14-11-18-12(20-13(19-11)17-7-10(21)22)16-6-5-8-1-3-9(4-2-8)25(15,23)24/h1-4H,5-7H2,(H,21,22)(H2,15,23,24)(H2,16,17,18,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 9 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50258679
(1-(3-(2-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...)Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Br)S(N)(=O)=O)c(C)c1 |(27.27,-43.91,;25.73,-43.92,;24.95,-42.58,;23.41,-42.59,;22.64,-41.25,;22.65,-43.91,;21.11,-43.91,;20.34,-45.25,;21.11,-46.58,;18.8,-45.25,;17.89,-46.5,;16.41,-46.03,;15.08,-46.8,;13.75,-46.03,;13.75,-44.48,;15.08,-43.71,;16.41,-44.47,;17.89,-43.99,;18.36,-42.53,;19.87,-42.21,;20.35,-40.75,;19.32,-39.6,;17.8,-39.93,;17.33,-41.39,;15.83,-41.72,;12.41,-43.71,;11.08,-42.94,;13.18,-42.38,;11.65,-45.05,;23.42,-45.25,;22.64,-46.58,;24.95,-45.25,)| Show InChI InChI=1S/C23H21BrN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349858
(CHEMBL78755)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.30 | 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 9 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50349858
(CHEMBL78755)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers
Curated by ChEMBL
| Assay Description Inhibition of human catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1555-63 (2013)
Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM11625
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem Lett 20: 4376-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50167330
(CHEMBL190733 | {4-Chloro-6-[2-(4-sulfamoyl-phenyl)...)Show SMILES COC(=O)CNc1nc(Cl)nc(NCCc2ccc(cc2)S(N)(=O)=O)n1 Show InChI InChI=1S/C14H17ClN6O4S/c1-25-11(22)8-18-14-20-12(15)19-13(21-14)17-7-6-9-2-4-10(5-3-9)26(16,23)24/h2-5H,6-8H2,1H3,(H2,16,23,24)(H2,17,18,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | 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 recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50349858
(CHEMBL78755)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.5 | 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 12 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50349858
(CHEMBL78755)Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers
Curated by ChEMBL
| Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1555-63 (2013)
Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50258715
(1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...)Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C Show InChI InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50349850
(CHEMBL1738787)Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers
Curated by ChEMBL
| Assay Description Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1555-63 (2013)
Article DOI: 10.1016/j.bmc.2012.05.037 BindingDB Entry DOI: 10.7270/Q25H7HM8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50349850
(CHEMBL1738787)Show InChI InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-5-6-19)18-11(17-9)15-7-1-3-8(4-2-7)22(13,20)21/h1-4,19H,5-6H2,(H2,13,20,21)(H2,14,15,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.60 | 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 12 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50167337
(3-{4-Chloro-6-[2-(4-sulfamoyl-phenyl)-ethylamino]-...)Show SMILES NS(=O)(=O)c1ccc(CCNc2nc(Cl)nc(NCCC(O)=O)n2)cc1 Show InChI InChI=1S/C14H17ClN6O4S/c15-12-19-13(21-14(20-12)18-8-6-11(22)23)17-7-5-9-1-3-10(4-2-9)26(16,24)25/h1-4H,5-8H2,(H,22,23)(H2,16,24,25)(H2,17,18,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | 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 9 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50258298
(1-(3-(3-methoxyphenyl)-5-sulfamoyl-1H-indole-2-car...)Show SMILES COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C Show InChI InChI=1S/C24H24N4O4S/c1-14-10-15(2)28(16(3)11-14)27-24(29)23-22(17-6-5-7-18(12-17)32-4)20-13-19(33(25,30)31)8-9-21(20)26-23/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1 | 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 |
Istanbul University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay |
J Med Chem 52: 4063-7 (2009)
Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ |
More data for this Ligand-Target Pair | |