Found 89 hits with Last Name = 'karczmarzyk' and Initial = 'z' 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)) | BDBM50066007
(CHEMBL3401462)Show SMILES CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C20H27N7O3S/c1-4-6-16-18-20(26(3)25-16)24-23-19(22-18)15-13-14(7-8-17(15)30-5-2)31(28,29)27-11-9-21-10-12-27/h7-8,13,21H,4-6,9-12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Siedlce University of Natural Sciences and Humanities
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50066008
(CHEMBL3401465)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.5 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50066006
(CHEMBL3261395)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H20N6O4S/c1-4-26-13-6-5-11(27(24,25)17-7-8-23)9-12(13)15-18-14-10(2)21-22(3)16(14)20-19-15/h5-6,9,17,23H,4,7-8H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.30 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50065990
(CHEMBL3356722)Show SMILES CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H29N7O3S/c1-5-7-17-19-21(27(4)25-17)24-23-20(22-19)16-14-15(8-9-18(16)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 15 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50065998
(CHEMBL3261389)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H22N6O4S/c1-4-28-15-6-5-13(29(25,26)24-7-9-27-10-8-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h5-6,11H,4,7-10H2,1-3H3 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50065999
(CHEMBL3261390)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C19H24N6O3S/c1-4-28-16-9-8-14(29(26,27)25-10-6-5-7-11-25)12-15(16)18-20-17-13(2)23-24(3)19(17)22-21-18/h8-9,12H,4-7,10-11H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50065998
(CHEMBL3261389)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H22N6O4S/c1-4-28-15-6-5-13(29(25,26)24-7-9-27-10-8-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h5-6,11H,4,7-10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50065993
(CHEMBL3401464)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NC(C)(C)CO Show InChI InChI=1S/C18H24N6O4S/c1-6-28-14-8-7-12(29(26,27)23-18(3,4)10-25)9-13(14)16-19-15-11(2)22-24(5)17(15)21-20-16/h7-9,23,25H,6,10H2,1-5H3 | 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
| 31 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50066002
(CHEMBL3261392)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C19H25N7O3S/c1-4-29-16-7-6-14(30(27,28)26-10-5-8-20-9-11-26)12-15(16)18-21-17-13(2)24-25(3)19(17)23-22-18/h6-7,12,20H,4-5,8-11H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 31 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50066008
(CHEMBL3401465)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 32 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50066003
(CHEMBL3261393)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCN Show InChI InChI=1S/C16H21N7O3S/c1-4-26-13-6-5-11(27(24,25)18-8-7-17)9-12(13)15-19-14-10(2)22-23(3)16(14)21-20-15/h5-6,9,18H,4,7-8,17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50065992
(CHEMBL3401463)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NC(C)(CO)CO Show InChI InChI=1S/C18H24N6O5S/c1-5-29-14-7-6-12(30(27,28)23-18(3,9-25)10-26)8-13(14)16-19-15-11(2)22-24(4)17(15)21-20-16/h6-8,23,25-26H,5,9-10H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50065991
(CHEMBL3261387)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N7O3S/c1-5-29-16-7-6-14(30(27,28)26-10-8-24(3)9-11-26)12-15(16)18-20-17-13(2)23-25(4)19(17)22-21-18/h6-7,12H,5,8-11H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50066006
(CHEMBL3261395)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H20N6O4S/c1-4-26-13-6-5-11(27(24,25)17-7-8-23)9-12(13)15-18-14-10(2)21-22(3)16(14)20-19-15/h5-6,9,17,23H,4,7-8H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 38 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50066007
(CHEMBL3401462)Show SMILES CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C20H27N7O3S/c1-4-6-16-18-20(26(3)25-16)24-23-19(22-18)15-13-14(7-8-17(15)30-5-2)31(28,29)27-11-9-21-10-12-27/h7-8,13,21H,4-6,9-12H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 39 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50066004
(CHEMBL3261394)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCN1CCOCC1 Show InChI InChI=1S/C20H27N7O4S/c1-4-31-17-6-5-15(32(28,29)21-7-8-27-9-11-30-12-10-27)13-16(17)19-22-18-14(2)25-26(3)20(18)24-23-19/h5-6,13,21H,4,7-12H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50066001
(CHEMBL3261391)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C18H22N6O3S/c1-4-27-15-8-7-13(28(25,26)24-9-5-6-10-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h7-8,11H,4-6,9-10H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50065994
(CHEMBL3261388)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C18H23N7O3S/c1-4-28-15-6-5-13(29(26,27)25-9-7-19-8-10-25)11-14(15)17-20-16-12(2)23-24(3)18(16)22-21-17/h5-6,11,19H,4,7-10H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50065992
(CHEMBL3401463)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NC(C)(CO)CO Show InChI InChI=1S/C18H24N6O5S/c1-5-29-14-7-6-12(30(27,28)23-18(3,9-25)10-26)8-13(14)16-19-15-11(2)22-24(4)17(15)21-20-16/h6-8,23,25-26H,5,9-10H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 41 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50066005
(CHEMBL3357169)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N(CC)CC Show InChI InChI=1S/C18H24N6O3S/c1-6-24(7-2)28(25,26)13-9-10-15(27-8-3)14(11-13)17-19-16-12(4)22-23(5)18(16)21-20-17/h9-11H,6-8H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 42 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50066003
(CHEMBL3261393)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCN Show InChI InChI=1S/C16H21N7O3S/c1-4-26-13-6-5-11(27(24,25)18-8-7-17)9-12(13)15-19-14-10(2)22-23(3)16(14)21-20-15/h5-6,9,18H,4,7-8,17H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 57 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50066004
(CHEMBL3261394)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCN1CCOCC1 Show InChI InChI=1S/C20H27N7O4S/c1-4-31-17-6-5-15(32(28,29)21-7-8-27-9-11-30-12-10-27)13-16(17)19-22-18-14(2)25-26(3)20(18)24-23-19/h5-6,13,21H,4,7-12H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50066005
(CHEMBL3357169)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N(CC)CC Show InChI InChI=1S/C18H24N6O3S/c1-6-24(7-2)28(25,26)13-9-10-15(27-8-3)14(11-13)17-19-16-12(4)22-23(5)18(16)21-20-17/h9-11H,6-8H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 281 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50066008
(CHEMBL3401465)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 422 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50065999
(CHEMBL3261390)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C19H24N6O3S/c1-4-28-16-9-8-14(29(26,27)25-10-6-5-7-11-25)12-15(16)18-20-17-13(2)23-24(3)19(17)22-21-18/h8-9,12H,4-7,10-11H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 579 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50066001
(CHEMBL3261391)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C18H22N6O3S/c1-4-27-15-8-7-13(28(25,26)24-9-5-6-10-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h7-8,11H,4-6,9-10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 606 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50065993
(CHEMBL3401464)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NC(C)(C)CO Show InChI InChI=1S/C18H24N6O4S/c1-6-28-14-8-7-12(29(26,27)23-18(3,4)10-25)9-13(14)16-19-15-11(2)22-24(5)17(15)21-20-16/h7-9,23,25H,6,10H2,1-5H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 608 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50065994
(CHEMBL3261388)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C18H23N7O3S/c1-4-28-15-6-5-13(29(26,27)25-9-7-19-8-10-25)11-14(15)17-20-16-12(2)23-24(3)18(16)22-21-17/h5-6,11,19H,4,7-10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 616 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50065990
(CHEMBL3356722)Show SMILES CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H29N7O3S/c1-5-7-17-19-21(27(4)25-17)24-23-20(22-19)16-14-15(8-9-18(16)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 629 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50065991
(CHEMBL3261387)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N7O3S/c1-5-29-16-7-6-14(30(27,28)26-10-8-24(3)9-11-26)12-15(16)18-20-17-13(2)23-25(4)19(17)22-21-18/h6-7,12H,5,8-11H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 636 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50066002
(CHEMBL3261392)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C19H25N7O3S/c1-4-29-16-7-6-14(30(27,28)26-10-5-8-20-9-11-26)12-15(16)18-21-17-13(2)24-25(3)19(17)23-22-18/h6-7,12,20H,4-5,8-11H2,1-3H3 | 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 12 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50176259
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw Medical University
Curated by ChEMBL
| Assay Description Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting |
Eur J Med Chem 46: 4992-9 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.006 BindingDB Entry DOI: 10.7270/Q27S7P5W |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50353656
(CHEMBL1829950)Show SMILES Cc1n(c(C)c2c1c(=O)[nH]n(CCN1CCN(CC1)c1cc(Cl)ccc1C)c2=O)-c1ccccc1 Show InChI InChI=1S/C27H30ClN5O2/c1-18-9-10-21(28)17-23(18)31-14-11-30(12-15-31)13-16-32-27(35)25-20(3)33(22-7-5-4-6-8-22)19(2)24(25)26(34)29-32/h4-10,17H,11-16H2,1-3H3,(H,29,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw Medical University
Curated by ChEMBL
| Assay Description Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting |
Eur J Med Chem 46: 4992-9 (2011)
Article DOI: 10.1016/j.ejmech.2011.08.006 BindingDB Entry DOI: 10.7270/Q27S7P5W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50066008
(CHEMBL3401465)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(N)(=O)=O Show InChI InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.83E+3 | 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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50066007
(CHEMBL3401462)Show SMILES CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C20H27N7O3S/c1-4-6-16-18-20(26(3)25-16)24-23-19(22-18)15-13-14(7-8-17(15)30-5-2)31(28,29)27-11-9-21-10-12-27/h7-8,13,21H,4-6,9-12H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50065991
(CHEMBL3261387)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H25N7O3S/c1-5-29-16-7-6-14(30(27,28)26-10-8-24(3)9-11-26)12-15(16)18-20-17-13(2)23-25(4)19(17)22-21-18/h6-7,12H,5,8-11H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50065992
(CHEMBL3401463)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NC(C)(CO)CO Show InChI InChI=1S/C18H24N6O5S/c1-5-29-14-7-6-12(30(27,28)23-18(3,9-25)10-26)8-13(14)16-19-15-11(2)22-24(4)17(15)21-20-16/h6-8,23,25-26H,5,9-10H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50065993
(CHEMBL3401464)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NC(C)(C)CO Show InChI InChI=1S/C18H24N6O4S/c1-6-28-14-8-7-12(29(26,27)23-18(3,4)10-25)9-13(14)16-19-15-11(2)22-24(5)17(15)21-20-16/h7-9,23,25H,6,10H2,1-5H3 | 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
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50066006
(CHEMBL3261395)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H20N6O4S/c1-4-26-13-6-5-11(27(24,25)17-7-8-23)9-12(13)15-18-14-10(2)21-22(3)16(14)20-19-15/h5-6,9,17,23H,4,7-8H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 2 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50065990
(CHEMBL3356722)Show SMILES CCCc1nn(C)c2nnc(nc12)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H29N7O3S/c1-5-7-17-19-21(27(4)25-17)24-23-20(22-19)16-14-15(8-9-18(16)31-6-2)32(29,30)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50065994
(CHEMBL3261388)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCNCC1 Show InChI InChI=1S/C18H23N7O3S/c1-4-28-15-6-5-13(29(26,27)25-9-7-19-8-10-25)11-14(15)17-20-16-12(2)23-24(3)18(16)22-21-17/h5-6,11,19H,4,7-10H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50065998
(CHEMBL3261389)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C18H22N6O4S/c1-4-28-15-6-5-13(29(25,26)24-7-9-27-10-8-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h5-6,11H,4,7-10H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50065999
(CHEMBL3261390)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCCC1 Show InChI InChI=1S/C19H24N6O3S/c1-4-28-16-9-8-14(29(26,27)25-10-6-5-7-11-25)12-15(16)18-20-17-13(2)23-24(3)19(17)22-21-18/h8-9,12H,4-7,10-11H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50066001
(CHEMBL3261391)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C18H22N6O3S/c1-4-27-15-8-7-13(28(25,26)24-9-5-6-10-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h7-8,11H,4-6,9-10H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50066002
(CHEMBL3261392)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)N1CCCNCC1 Show InChI InChI=1S/C19H25N7O3S/c1-4-29-16-7-6-14(30(27,28)26-10-5-8-20-9-11-26)12-15(16)18-21-17-13(2)24-25(3)19(17)23-22-18/h6-7,12,20H,4-5,8-11H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50066003
(CHEMBL3261393)Show SMILES CCOc1ccc(cc1-c1nnc2n(C)nc(C)c2n1)S(=O)(=O)NCCN Show InChI InChI=1S/C16H21N7O3S/c1-4-26-13-6-5-11(27(24,25)18-8-7-17)9-12(13)15-19-14-10(2)22-23(3)16(14)21-20-15/h5-6,9,18H,4,7-8,17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+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 preincubated for 15 mins by CO2 hydration assay |
Bioorg Med Chem 23: 1421-9 (2015)
Article DOI: 10.1016/j.bmc.2015.02.026 BindingDB Entry DOI: 10.7270/Q2C82C03 |
More data for this Ligand-Target Pair | |