Found 402 hits with Last Name = 'alafeefy' and Initial = 'am' 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)) | BDBM50147758
(CHEMBL3765745)Show SMILES Cc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C15H13N3O3S2/c1-9-2-7-13-12(8-9)14(19)18(15(22)17-13)10-3-5-11(6-4-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 1402-7 (2016)
Article DOI: 10.1016/j.bmc.2016.02.011 BindingDB Entry DOI: 10.7270/Q27H1MG2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50147751
(CHEMBL3763168)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Cl)cccc2c1=O Show InChI InChI=1S/C14H10ClN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 1402-7 (2016)
Article DOI: 10.1016/j.bmc.2016.02.011 BindingDB Entry DOI: 10.7270/Q27H1MG2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428850
(CHEMBL2337539)Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1 |t:3| Show InChI InChI=1S/C19H15N5O4S2/c1-12(25)18-23-24(14-5-3-2-4-6-14)19(29-18)16(11-20)17(26)22-13-7-9-15(10-8-13)30(21,27)28/h2-10H,1H3,(H,22,26)(H2,21,27,28)/b19-16- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50147752
(CHEMBL3763877)Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 1402-7 (2016)
Article DOI: 10.1016/j.bmc.2016.02.011 BindingDB Entry DOI: 10.7270/Q27H1MG2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190142
(CHEMBL3828241)Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.470 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428841
(CHEMBL2337134)Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1 Show InChI InChI=1S/C19H19N3O6S/c1-26-14-9-17(27-2)16(18(10-14)28-3)8-12(11-20)19(23)22-13-4-6-15(7-5-13)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b12-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190147
(CHEMBL3828207)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.540 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190143
(CHEMBL3827651)Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.540 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50495062
(CHEMBL3098527)Show SMILES COc1ccc(cc1)C(=O)N\N=C(/C)\C(=N\Nc1ccc(cc1)S(N)(=O)=O)\S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H23N5O6S2/c1-16(25-27-22(29)17-8-12-19(34-2)13-9-17)23(35(30,31)20-6-4-3-5-7-20)28-26-18-10-14-21(15-11-18)36(24,32)33/h3-15,26H,1-2H3,(H,27,29)(H2,24,32,33)/b25-16+,28-23- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 141-7 (2014)
Article DOI: 10.1016/j.bmc.2013.11.042 BindingDB Entry DOI: 10.7270/Q28P63GS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50495067
(CHEMBL3098533)Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:3| Show InChI InChI=1S/C19H16N6O6S3/c1-11(26)18-24-25(13-4-8-15(9-5-13)34(22,30)31)19(32-18)16(10-20)17(27)23-12-2-6-14(7-3-12)33(21,28)29/h2-9H,1H3,(H,23,27)(H2,21,28,29)(H2,22,30,31)/b19-16- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 141-7 (2014)
Article DOI: 10.1016/j.bmc.2013.11.042 BindingDB Entry DOI: 10.7270/Q28P63GS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50495058
(CHEMBL3098522)Show SMILES C\C(=N/NC(=O)c1ccc(Cl)cc1)\C(=N\Nc1ccc(cc1)S(N)(=O)=O)\N1CCCCC1 Show InChI InChI=1S/C21H25ClN6O3S/c1-15(24-27-21(29)16-5-7-17(22)8-6-16)20(28-13-3-2-4-14-28)26-25-18-9-11-19(12-10-18)32(23,30)31/h5-12,25H,2-4,13-14H2,1H3,(H,27,29)(H2,23,30,31)/b24-15+,26-20- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 141-7 (2014)
Article DOI: 10.1016/j.bmc.2013.11.042 BindingDB Entry DOI: 10.7270/Q28P63GS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428844
(CHEMBL2337544)Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)10-13(11-18)17(21)20-14-4-8-16(9-5-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50245752
(CHEMBL4098958)Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2ccc(I)cc2c1=O Show InChI InChI=1S/C14H10IN3O3S2/c15-8-4-5-12-11(6-8)13(19)18(14(22)17-12)9-2-1-3-10(7-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21) | 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 |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
Bioorg Med Chem 25: 2782-2788 (2017)
Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190134
(CHEMBL1433252)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1 Show InChI InChI=1S/C16H15N3O3S2/c17-24(21,22)12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)23/h1-8H,9-10H2,(H,18,23)(H2,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.590 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428843
(CHEMBL2337132)Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC Show InChI InChI=1S/C19H19N3O6S/c1-26-16-9-12(10-17(27-2)18(16)28-3)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50147759
(CHEMBL3765657)Show SMILES Cc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C15H13N3O3S2/c1-9-3-2-4-12-13(9)17-15(22)18(14(12)19)10-5-7-11(8-6-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21) | 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 |
DAIS
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 1402-7 (2016)
Article DOI: 10.1016/j.bmc.2016.02.011 BindingDB Entry DOI: 10.7270/Q27H1MG2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428845
(CHEMBL1594453)Show SMILES COc1ccccc1\C=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H15N3O4S/c1-24-16-5-3-2-4-12(16)10-13(11-18)17(21)20-14-6-8-15(9-7-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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 |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50147752
(CHEMBL3763877)Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 1402-7 (2016)
Article DOI: 10.1016/j.bmc.2016.02.011 BindingDB Entry DOI: 10.7270/Q27H1MG2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50147753
(CHEMBL3765532)Show SMILES COc1ccc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c1OC Show InChI InChI=1S/C16H15N3O5S2/c1-23-12-8-7-11-13(14(12)24-2)18-16(25)19(15(11)20)9-3-5-10(6-4-9)26(17,21)22/h3-8H,1-2H3,(H,18,25)(H2,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 1402-7 (2016)
Article DOI: 10.1016/j.bmc.2016.02.011 BindingDB Entry DOI: 10.7270/Q27H1MG2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190139
(CHEMBL3828646)Show SMILES Cc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O3S2/c1-11-3-2-4-14-15(11)19-17(24)20(16(14)21)10-9-12-5-7-13(8-6-12)25(18,22)23/h2-8H,9-10H2,1H3,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.610 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190133
(CHEMBL1383680)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1 Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.620 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190134
(CHEMBL1433252)Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1 Show InChI InChI=1S/C16H15N3O3S2/c17-24(21,22)12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)23/h1-8H,9-10H2,(H,18,23)(H2,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.620 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428850
(CHEMBL2337539)Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1 |t:3| Show InChI InChI=1S/C19H15N5O4S2/c1-12(25)18-23-24(14-5-3-2-4-6-14)19(29-18)16(11-20)17(26)22-13-7-9-15(10-8-13)30(21,27)28/h2-10H,1H3,(H,22,26)(H2,21,27,28)/b19-16- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190141
(CHEMBL3828667)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(F)ccc3c2=O)cc1 Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.640 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428838
(CHEMBL2337530)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1 Show InChI InChI=1S/C16H13N3O5S/c17-9-11(7-10-1-6-14(20)15(21)8-10)16(22)19-12-2-4-13(5-3-12)25(18,23)24/h1-8,20-21H,(H,19,22)(H2,18,23,24)/b11-7+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428837
(CHEMBL2337531)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1 Show InChI InChI=1S/C16H13N3O4S/c17-10-12(9-11-1-5-14(20)6-2-11)16(21)19-13-3-7-15(8-4-13)24(18,22)23/h1-9,20H,(H,19,21)(H2,18,22,23)/b12-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190136
(CHEMBL3827113)Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.650 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428846
(CHEMBL2337543)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(cc2)[N+]([O-])=O)\C#N)cc1 Show InChI InChI=1S/C16H12N4O5S/c17-10-12(9-11-1-5-14(6-2-11)20(22)23)16(21)19-13-3-7-15(8-4-13)26(18,24)25/h1-9H,(H,19,21)(H2,18,24,25)/b12-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190146
(CHEMBL3828598)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-13-3-1-2-12-14(13)19-16(24)20(15(12)21)9-8-10-4-6-11(7-5-10)25(18,22)23/h1-7H,8-9H2,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.660 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50147753
(CHEMBL3765532)Show SMILES COc1ccc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c1OC Show InChI InChI=1S/C16H15N3O5S2/c1-23-12-8-7-11-13(14(12)24-2)18-16(25)19(15(11)20)9-3-5-10(6-4-9)26(17,21)22/h3-8H,1-2H3,(H,18,25)(H2,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DAIS
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 1402-7 (2016)
Article DOI: 10.1016/j.bmc.2016.02.011 BindingDB Entry DOI: 10.7270/Q27H1MG2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428842
(CHEMBL2337133)Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C19H19N3O6S/c1-26-16-10-18(28-3)17(27-2)9-12(16)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428837
(CHEMBL2337531)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1 Show InChI InChI=1S/C16H13N3O4S/c17-10-12(9-11-1-5-14(20)6-2-11)16(21)19-13-3-7-15(8-4-13)24(18,22)23/h1-9,20H,(H,19,21)(H2,18,22,23)/b12-9+ | 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
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428849
(CHEMBL2337540)Show InChI InChI=1S/C9H9N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5H2,(H,12,13)(H2,11,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190142
(CHEMBL3828241)Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.690 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190144
(CHEMBL3828520)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1 Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.710 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428847
(CHEMBL2337542)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(Cl)cc2Cl)\C#N)cc1 Show InChI InChI=1S/C16H11Cl2N3O3S/c17-12-2-1-10(15(18)8-12)7-11(9-19)16(22)21-13-3-5-14(6-4-13)25(20,23)24/h1-8H,(H,21,22)(H2,20,23,24)/b11-7+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190138
(CHEMBL3828605)Show SMILES Cc1cc(C)c2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C18H19N3O3S2/c1-11-9-12(2)16-15(10-11)17(22)21(18(25)20-16)8-7-13-3-5-14(6-4-13)26(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.730 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50190144
(CHEMBL3828520)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1 Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.760 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190146
(CHEMBL3828598)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-13-3-1-2-12-14(13)19-16(24)20(15(12)21)9-8-10-4-6-11(7-5-10)25(18,22)23/h1-7H,8-9H2,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 CA2 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50245818
(CHEMBL4077440)Show SMILES NS(=O)(=O)c1cccc(c1)-n1c(S)nc2c(Br)cccc2c1=O Show InChI InChI=1S/C14H10BrN3O3S2/c15-11-6-2-5-10-12(11)17-14(22)18(13(10)19)8-3-1-4-9(7-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.820 | 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 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
Bioorg Med Chem 25: 2782-2788 (2017)
Article DOI: 10.1016/j.bmc.2017.03.054 BindingDB Entry DOI: 10.7270/Q24M96X2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428844
(CHEMBL2337544)Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)10-13(11-18)17(21)20-14-4-8-16(9-5-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+ | 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
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190138
(CHEMBL3828605)Show SMILES Cc1cc(C)c2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C18H19N3O3S2/c1-11-9-12(2)16-15(10-11)17(22)21(18(25)20-16)8-7-13-3-5-14(6-4-13)26(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.860 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428848
(CHEMBL2337541)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccccc2Cl)\C#N)cc1 Show InChI InChI=1S/C16H12ClN3O3S/c17-15-4-2-1-3-11(15)9-12(10-18)16(21)20-13-5-7-14(8-6-13)24(19,22)23/h1-9H,(H,20,21)(H2,19,22,23)/b12-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50495056
(CHEMBL3098524)Show SMILES C\C(=N/NC(=O)c1cccs1)\C(=N\Nc1ccc(cc1)S(N)(=O)=O)\N1CCCCC1 Show InChI InChI=1S/C19H24N6O3S2/c1-14(21-24-19(26)17-6-5-13-29-17)18(25-11-3-2-4-12-25)23-22-15-7-9-16(10-8-15)30(20,27)28/h5-10,13,22H,2-4,11-12H2,1H3,(H,24,26)(H2,20,27,28)/b21-14+,23-18- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 141-7 (2014)
Article DOI: 10.1016/j.bmc.2013.11.042 BindingDB Entry DOI: 10.7270/Q28P63GS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50495057
(CHEMBL3098532)Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)c1ccccc1)c1ccc(cc1)S(N)(=O)=O |t:3| Show InChI InChI=1S/C19H14N4O4S2/c1-12(24)18-22-23(14-7-9-15(10-8-14)29(21,26)27)19(28-18)16(11-20)17(25)13-5-3-2-4-6-13/h2-10H,1H3,(H2,21,26,27)/b19-16- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 141-7 (2014)
Article DOI: 10.1016/j.bmc.2013.11.042 BindingDB Entry DOI: 10.7270/Q28P63GS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50190145
(CHEMBL3828641)Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(Br)ccc3c2=O)cc1 Show InChI InChI=1S/C16H14BrN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.910 | 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 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50495059
(CHEMBL3098530)Show SMILES Cc1nn2c(nnc2s\c1=N\Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C17H15N7O2S2/c1-11-16(21-19-13-7-9-14(10-8-13)28(18,25)26)27-17-22-20-15(24(17)23-11)12-5-3-2-4-6-12/h2-10,19H,1H3,(H2,18,25,26)/b21-16+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 141-7 (2014)
Article DOI: 10.1016/j.bmc.2013.11.042 BindingDB Entry DOI: 10.7270/Q28P63GS |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428846
(CHEMBL2337543)Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(cc2)[N+]([O-])=O)\C#N)cc1 Show InChI InChI=1S/C16H12N4O5S/c17-10-12(9-11-1-5-14(6-2-11)20(22)23)16(21)19-13-3-7-15(8-4-13)26(18,24)25/h1-9H,(H,19,21)(H2,18,24,25)/b12-9+ | 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 |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428836
(CHEMBL2337532)Show SMILES CN(C)c1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C18H18N4O3S/c1-22(2)16-7-3-13(4-8-16)11-14(12-19)18(23)21-15-5-9-17(10-6-15)26(20,24)25/h3-11H,1-2H3,(H,21,23)(H2,20,24,25)/b14-11+ | PDB MMDB
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 |
Salman Bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1396-403 (2013)
Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50495066
(CHEMBL3098520)Show SMILES C\C(=N/NC(=O)c1cccs1)\C(\Cl)=N\Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H14ClN5O3S2/c1-9(17-20-14(21)12-3-2-8-24-12)13(15)19-18-10-4-6-11(7-5-10)25(16,22)23/h2-8,18H,1H3,(H,20,21)(H2,16,22,23)/b17-9+,19-13- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.940 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Salman bin Abdulaziz University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 22: 141-7 (2014)
Article DOI: 10.1016/j.bmc.2013.11.042 BindingDB Entry DOI: 10.7270/Q28P63GS |
More data for this Ligand-Target Pair | |