Found 117 hits with Last Name = 'abdel-megeed' and Initial = 'a' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 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
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | 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
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | 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
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of neutral endopeptidase in human umbilical vein endothelial cells |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(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 PDB Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235693
(CHEMBL4067617)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235680
(CHEMBL4090671)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H19ClN6O4S/c1-16(36)26-33-35(20-11-13-21(14-12-20)40(30,38)39)28-32-25-24(27(37)34(26)28)22(17-5-3-2-4-6-17)15-23(31-25)18-7-9-19(29)10-8-18/h2-15H,1H3,(H2,30,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235677
(CHEMBL4093086)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17FN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37) | 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
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235693
(CHEMBL4067617)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235694
(CHEMBL4095288)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
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 |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM11639
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | 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
| Article PubMed
| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235683
(CHEMBL4062664)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235684
(CHEMBL4100795)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40) | 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
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235677
(CHEMBL4093086)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17FN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235690
(CHEMBL4059980)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235692
(CHEMBL4088844)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C28H22N6O6S2/c1-3-40-27(36)25-32-34(17-8-12-19(13-9-17)42(29,37)38)28-31-24-23(26(35)33(25)28)20(16-6-10-18(39-2)11-7-16)15-21(30-24)22-5-4-14-41-22/h4-15H,3H2,1-2H3,(H2,29,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235687
(CHEMBL4096540)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | 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
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235688
(CHEMBL4078512)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(H2,28,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235693
(CHEMBL4067617)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235680
(CHEMBL4090671)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H19ClN6O4S/c1-16(36)26-33-35(20-11-13-21(14-12-20)40(30,38)39)28-32-25-24(27(37)34(26)28)22(17-5-3-2-4-6-17)15-23(31-25)18-7-9-19(29)10-8-18/h2-15H,1H3,(H2,30,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235692
(CHEMBL4088844)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C28H22N6O6S2/c1-3-40-27(36)25-32-34(17-8-12-19(13-9-17)42(29,37)38)28-31-24-23(26(35)33(25)28)20(16-6-10-18(39-2)11-7-16)15-21(30-24)22-5-4-14-41-22/h4-15H,3H2,1-2H3,(H2,29,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235689
(CHEMBL3288908)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H18N6O4S2/c1-15(33)24-30-32(17-9-11-18(12-10-17)38(27,35)36)26-29-23-22(25(34)31(24)26)19(16-6-3-2-4-7-16)14-20(28-23)21-8-5-13-37-21/h2-14H,1H3,(H2,27,35,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235684
(CHEMBL4100795)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50235692
(CHEMBL4088844)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C28H22N6O6S2/c1-3-40-27(36)25-32-34(17-8-12-19(13-9-17)42(29,37)38)28-31-24-23(26(35)33(25)28)20(16-6-10-18(39-2)11-7-16)15-21(30-24)22-5-4-14-41-22/h4-15H,3H2,1-2H3,(H2,29,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235683
(CHEMBL4062664)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235676
(CHEMBL4089713)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17ClN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37) | 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
| 990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235679
(CHEMBL4066599)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19N7O7S2/c1-2-41-26(36)24-31-33(16-9-11-18(12-10-16)43(28,39)40)27-30-23-22(25(35)32(24)27)19(14-20(29-23)21-4-3-13-42-21)15-5-7-17(8-6-15)34(37)38/h3-14H,2H2,1H3,(H2,28,39,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of neutral endopeptidase in human umbilical vein endothelial cells |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235689
(CHEMBL3288908)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H18N6O4S2/c1-15(33)24-30-32(17-9-11-18(12-10-17)38(27,35)36)26-29-23-22(25(34)31(24)26)19(16-6-3-2-4-7-16)14-20(28-23)21-8-5-13-37-21/h2-14H,1H3,(H2,27,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235694
(CHEMBL4095288)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235685
(CHEMBL4065414)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-2-38-26(35)24-31-33(17-10-12-18(13-11-17)40(28,36)37)27-30-23-22(25(34)32(24)27)19(16-7-4-3-5-8-16)15-20(29-23)21-9-6-14-39-21/h3-15H,2H2,1H3,(H2,28,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235682
(CHEMBL4084349)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H23ClN6O6S/c1-3-43-29(39)27-35-37(20-10-14-22(15-11-20)44(32,40)41)30-34-26-25(28(38)36(27)30)23(17-6-12-21(42-2)13-7-17)16-24(33-26)18-4-8-19(31)9-5-18/h4-16H,3H2,1-2H3,(H2,32,40,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235675
(CHEMBL4074030)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H20Cl2N6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-3-7-18(30)8-4-16)15-23(33-25)17-5-9-19(31)10-6-17/h3-15H,2H2,1H3,(H2,32,40,41) | 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
| 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of neutral endopeptidase in human umbilical vein endothelial cells |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235678
(CHEMBL4061590)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19FN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235682
(CHEMBL4084349)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H23ClN6O6S/c1-3-43-29(39)27-35-37(20-10-14-22(15-11-20)44(32,40)41)30-34-26-25(28(38)36(27)30)23(17-6-12-21(42-2)13-7-17)16-24(33-26)18-4-8-19(31)9-5-18/h4-16H,3H2,1-2H3,(H2,32,40,41) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235678
(CHEMBL4061590)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19FN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235687
(CHEMBL4096540)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235679
(CHEMBL4066599)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19N7O7S2/c1-2-41-26(36)24-31-33(16-9-11-18(12-10-16)43(28,39)40)27-30-23-22(25(35)32(24)27)19(14-20(29-23)21-4-3-13-42-21)15-5-7-17(8-6-15)34(37)38/h3-14H,2H2,1H3,(H2,28,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of human platelet adhesion to fibrinogen |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235685
(CHEMBL4065414)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-2-38-26(35)24-31-33(17-10-12-18(13-11-17)40(28,36)37)27-30-23-22(25(34)32(24)27)19(16-7-4-3-5-8-16)15-20(29-23)21-9-6-14-39-21/h3-15H,2H2,1H3,(H2,28,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235690
(CHEMBL4059980)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235688
(CHEMBL4078512)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(H2,28,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235677
(CHEMBL4093086)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17FN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50235686
(CHEMBL4103258)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H20ClN7O7S/c1-2-44-28(39)26-34-36(19-11-13-21(14-12-19)45(31,42)43)29-33-25-24(27(38)35(26)29)22(16-5-9-20(10-6-16)37(40)41)15-23(32-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,31,42,43) | 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
| 2.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235676
(CHEMBL4089713)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17ClN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of neutral endopeptidase in human umbilical vein endothelial cells |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50235687
(CHEMBL4096540)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38) | 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
| 2.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50235677
(CHEMBL4093086)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H17FN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37) | 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
| 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235683
(CHEMBL4062664)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50235688
(CHEMBL4078512)Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1 Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(H2,28,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235679
(CHEMBL4066599)Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C27H19N7O7S2/c1-2-41-26(36)24-31-33(16-9-11-18(12-10-16)43(28,39)40)27-30-23-22(25(35)32(24)27)19(14-20(29-23)21-4-3-13-42-21)15-5-7-17(8-6-15)34(37)38/h3-14H,2H2,1H3,(H2,28,39,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te... |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50235680
(CHEMBL4090671)Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H19ClN6O4S/c1-16(36)26-33-35(20-11-13-21(14-12-20)40(30,38)39)28-32-25-24(27(37)34(26)28)22(17-5-3-2-4-6-17)15-23(31-25)18-7-9-19(29)10-8-18/h2-15H,1H3,(H2,30,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wollongong
Curated by ChEMBL
| Assay Description Inhibition of ADP-induced human platelet aggregation |
Bioorg Med Chem 25: 2210-2217 (2017)
Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD |
More data for this Ligand-Target Pair | |