Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50046350 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107375
(CHEMBL3601459)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C21H20ClN5O3S/c1-13-20(19-12-18(25-26(19)14(2)28)15-6-4-3-5-7-15)21(22)27(24-13)16-8-10-17(11-9-16)31(23,29)30/h3-11,19H,12H2,1-2H3,(H2,23,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107371
(CHEMBL3601463)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C21H19Cl2N5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107370
(CHEMBL3601464)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C21H19BrClN5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107340
(CHEMBL3601395)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22BrClN6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107373
(CHEMBL3601461)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107374
(CHEMBL3601460)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107372
(CHEMBL3601462)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:4| Show InChI InChI=1S/C21H19ClFN5O3S/c1-12-20(21(22)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(23)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107375
(CHEMBL3601459)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C21H20ClN5O3S/c1-13-20(19-12-18(25-26(19)14(2)28)15-6-4-3-5-7-15)21(22)27(24-13)16-8-10-17(11-9-16)31(23,29)30/h3-11,19H,12H2,1-2H3,(H2,23,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107368
(CHEMBL3601391)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C26H25ClN6O4S2/c1-16-3-5-18(6-4-16)23-15-24(32(31-23)19-7-11-21(12-8-19)38(28,34)35)25-17(2)30-33(26(25)27)20-9-13-22(14-10-20)39(29,36)37/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107373
(CHEMBL3601461)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107363
(CHEMBL3601393)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22ClFN6O4S2/c1-15-24(25(26)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(27)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107367
(CHEMBL3601392)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107372
(CHEMBL3601462)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:4| Show InChI InChI=1S/C21H19ClFN5O3S/c1-12-20(21(22)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(23)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107363
(CHEMBL3601393)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22ClFN6O4S2/c1-15-24(25(26)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(27)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107342
(CHEMBL3601394)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22Cl2N6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107371
(CHEMBL3601463)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C21H19Cl2N5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107374
(CHEMBL3601460)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107370
(CHEMBL3601464)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C21H19BrClN5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107340
(CHEMBL3601395)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22BrClN6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
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
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107367
(CHEMBL3601392)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107372
(CHEMBL3601462)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:4| Show InChI InChI=1S/C21H19ClFN5O3S/c1-12-20(21(22)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(23)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107368
(CHEMBL3601391)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C26H25ClN6O4S2/c1-16-3-5-18(6-4-16)23-15-24(32(31-23)19-7-11-21(12-8-19)38(28,34)35)25-17(2)30-33(26(25)27)20-9-13-22(14-10-20)39(29,36)37/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | 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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107369
(CHEMBL3601390)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H23ClN6O4S2/c1-16-24(25(26)32(29-16)19-9-13-21(14-10-19)38(28,35)36)23-15-22(17-5-3-2-4-6-17)30-31(23)18-7-11-20(12-8-18)37(27,33)34/h2-14,23H,15H2,1H3,(H2,27,33,34)(H2,28,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50107369
(CHEMBL3601390)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H23ClN6O4S2/c1-16-24(25(26)32(29-16)19-9-13-21(14-10-19)38(28,35)36)23-15-22(17-5-3-2-4-6-17)30-31(23)18-7-11-20(12-8-18)37(27,33)34/h2-14,23H,15H2,1H3,(H2,27,33,34)(H2,28,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107375
(CHEMBL3601459)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C21H20ClN5O3S/c1-13-20(19-12-18(25-26(19)14(2)28)15-6-4-3-5-7-15)21(22)27(24-13)16-8-10-17(11-9-16)31(23,29)30/h3-11,19H,12H2,1-2H3,(H2,23,29,30) | 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
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107340
(CHEMBL3601395)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22BrClN6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107371
(CHEMBL3601463)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C21H19Cl2N5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | 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
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107374
(CHEMBL3601460)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | 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
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107371
(CHEMBL3601463)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C21H19Cl2N5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | 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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107368
(CHEMBL3601391)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C26H25ClN6O4S2/c1-16-3-5-18(6-4-16)23-15-24(32(31-23)19-7-11-21(12-8-19)38(28,34)35)25-17(2)30-33(26(25)27)20-9-13-22(14-10-20)39(29,36)37/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | 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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107342
(CHEMBL3601394)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22Cl2N6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | 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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107340
(CHEMBL3601395)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22BrClN6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107363
(CHEMBL3601393)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22ClFN6O4S2/c1-15-24(25(26)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(27)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107367
(CHEMBL3601392)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107342
(CHEMBL3601394)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22Cl2N6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107373
(CHEMBL3601461)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB MMDB
NCI pathway 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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107375
(CHEMBL3601459)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:4| Show InChI InChI=1S/C21H20ClN5O3S/c1-13-20(19-12-18(25-26(19)14(2)28)15-6-4-3-5-7-15)21(22)27(24-13)16-8-10-17(11-9-16)31(23,29)30/h3-11,19H,12H2,1-2H3,(H2,23,29,30) | 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
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107374
(CHEMBL3601460)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | 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
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107370
(CHEMBL3601464)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C21H19BrClN5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | 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
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107368
(CHEMBL3601391)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C26H25ClN6O4S2/c1-16-3-5-18(6-4-16)23-15-24(32(31-23)19-7-11-21(12-8-19)38(28,34)35)25-17(2)30-33(26(25)27)20-9-13-22(14-10-20)39(29,36)37/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50107369
(CHEMBL3601390)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H23ClN6O4S2/c1-16-24(25(26)32(29-16)19-9-13-21(14-10-19)38(28,35)36)23-15-22(17-5-3-2-4-6-17)30-31(23)18-7-11-20(12-8-18)37(27,33)34/h2-14,23H,15H2,1H3,(H2,27,33,34)(H2,28,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107373
(CHEMBL3601461)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O |t:9| Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107363
(CHEMBL3601393)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H22ClFN6O4S2/c1-15-24(25(26)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(27)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107370
(CHEMBL3601464)Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:4| Show InChI InChI=1S/C21H19BrClN5O3S/c1-12-20(21(23)28(25-12)16-7-9-17(10-8-16)32(24,30)31)19-11-18(26-27(19)13(2)29)14-3-5-15(22)6-4-14/h3-10,19H,11H2,1-2H3,(H2,24,30,31) | 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
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107367
(CHEMBL3601392)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:9| Show InChI InChI=1S/C26H25ClN6O5S2/c1-16-25(26(27)33(30-16)19-7-13-22(14-8-19)40(29,36)37)24-15-23(17-3-9-20(38-2)10-4-17)31-32(24)18-5-11-21(12-6-18)39(28,34)35/h3-14,24H,15H2,1-2H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 185 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50107369
(CHEMBL3601390)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1)-c1ccc(cc1)S(N)(=O)=O |c:10| Show InChI InChI=1S/C25H23ClN6O4S2/c1-16-24(25(26)32(29-16)19-9-13-21(14-10-19)38(28,35)36)23-15-22(17-5-3-2-4-6-17)30-31(23)18-7-11-20(12-8-18)37(27,33)34/h2-14,23H,15H2,1H3,(H2,27,33,34)(H2,28,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
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 |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |