Found 24 hits of Enzyme Inhibition Constant Data 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)) | BDBM50424254
(CHEMBL2314162)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)cc1 |w:31.33| Show InChI InChI=1S/C33H24N6O6S/c34-46(44,45)25-16-14-22(15-17-25)35-32(41)30-28(33(42)43)31(21-8-2-1-3-9-21)39(38-30)24-11-6-10-23(19-24)36-37-29-26-12-5-4-7-20(26)13-18-27(29)40/h1-19,40H,(H,35,41)(H,42,43)(H2,34,44,45) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Un-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424250
(CHEMBL2314153)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)c1ccccc1 |w:4.4| Show InChI InChI=1S/C33H26N6O7S/c1-20(40)28(31(41)22-11-6-3-7-12-22)37-36-24-13-8-14-25(19-24)39-30(21-9-4-2-5-10-21)27(33(43)44)29(38-39)32(42)35-23-15-17-26(18-16-23)47(34,45)46/h2-19,36H,1H3,(H,35,42)(H,43,44)(H2,34,45,46) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Un-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424245
(CHEMBL2314158)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C31H30N6O8S/c1-18(38)25(30(42)45-31(2,3)4)35-34-21-11-8-12-22(17-21)37-27(19-9-6-5-7-10-19)24(29(40)41)26(36-37)28(39)33-20-13-15-23(16-14-20)46(32,43)44/h5-17,34H,1-4H3,(H,33,39)(H,40,41)(H2,32,43,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424253
(CHEMBL2314161)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C25H21N5O7S/c1-2-37-25(32)21-22(24(31)27-17-11-13-20(14-12-17)38(26,35)36)28-29(23(21)16-7-4-3-5-8-16)18-9-6-10-19(15-18)30(33)34/h3-15H,2H2,1H3,(H,27,31)(H2,26,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424247
(CHEMBL2314156)Show SMILES CCCC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)OCC |w:6.6| Show InChI InChI=1S/C31H30N6O8S/c1-3-9-24(38)26(31(42)45-4-2)35-34-21-12-8-13-22(18-21)37-28(19-10-6-5-7-11-19)25(30(40)41)27(36-37)29(39)33-20-14-16-23(17-15-20)46(32,43)44/h5-8,10-18,34H,3-4,9H2,1-2H3,(H,33,39)(H,40,41)(H2,32,43,44) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424249
(CHEMBL2314154)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C34H28N6O8S/c1-2-48-34(45)29(31(41)22-12-7-4-8-13-22)38-37-24-14-9-15-25(20-24)40-30(21-10-5-3-6-11-21)27(33(43)44)28(39-40)32(42)36-23-16-18-26(19-17-23)49(35,46)47/h3-20,37H,2H2,1H3,(H,36,42)(H,43,44)(H2,35,46,47) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 115 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424249
(CHEMBL2314154)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)c1ccccc1 |w:6.6| Show InChI InChI=1S/C34H28N6O8S/c1-2-48-34(45)29(31(41)22-12-7-4-8-13-22)38-37-24-14-9-15-25(20-24)40-30(21-10-5-3-6-11-21)27(33(43)44)28(39-40)32(42)36-23-16-18-26(19-17-23)49(35,46)47/h3-20,37H,2H2,1H3,(H,36,42)(H,43,44)(H2,35,46,47) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424251
(CHEMBL2314152)Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](-[#8])=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](\[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)cc1 Show InChI InChI=1S/C38H28N6O7S/c39-52(50,51)30-21-19-27(20-22-30)40-37(47)32-31(38(48)49)34(24-11-4-1-5-12-24)44(43-32)29-18-10-17-28(23-29)41-42-33(35(45)25-13-6-2-7-14-25)36(46)26-15-8-3-9-16-26/h1-23,41H,(H,40,47)(H,48,49)(H2,39,50,51) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424246
(CHEMBL2314157)Show SMILES COC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)C(C)C |w:5.5| Show InChI InChI=1S/C30H28N6O8S/c1-17(2)27(37)25(30(41)44-3)34-33-20-10-7-11-21(16-20)36-26(18-8-5-4-6-9-18)23(29(39)40)24(35-36)28(38)32-19-12-14-22(15-13-19)45(31,42)43/h4-17,33H,1-3H3,(H,32,38)(H,39,40)(H2,31,42,43) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424253
(CHEMBL2314161)Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C25H21N5O7S/c1-2-37-25(32)21-22(24(31)27-17-11-13-20(14-12-17)38(26,35)36)28-29(23(21)16-7-4-3-5-8-16)18-9-6-10-19(15-18)30(33)34/h3-15H,2H2,1H3,(H,27,31)(H2,26,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424250
(CHEMBL2314153)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)c1ccccc1 |w:4.4| Show InChI InChI=1S/C33H26N6O7S/c1-20(40)28(31(41)22-11-6-3-7-12-22)37-36-24-13-8-14-25(19-24)39-30(21-9-4-2-5-10-21)27(33(43)44)29(38-39)32(42)35-23-15-17-26(18-16-23)47(34,45)46/h2-19,36H,1H3,(H,35,42)(H,43,44)(H2,34,45,46) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 159 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424248
(CHEMBL2314155)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C29H26N6O8S/c1-3-43-29(40)24(17(2)36)33-32-20-10-7-11-21(16-20)35-26(18-8-5-4-6-9-18)23(28(38)39)25(34-35)27(37)31-19-12-14-22(15-13-19)44(30,41)42/h4-16,32H,3H2,1-2H3,(H,31,37)(H,38,39)(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
| 197 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424251
(CHEMBL2314152)Show SMILES [#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-c2nn(c(c2-[#6](-[#8])=O)-c2ccccc2)-c2cccc(-[#7]\[#7]=[#6](\[#6](=O)-c3ccccc3)-[#6](=O)-c3ccccc3)c2)cc1 Show InChI InChI=1S/C38H28N6O7S/c39-52(50,51)30-21-19-27(20-22-30)40-37(47)32-31(38(48)49)34(24-11-4-1-5-12-24)44(43-32)29-18-10-17-28(23-29)41-42-33(35(45)25-13-6-2-7-14-25)36(46)26-15-8-3-9-16-26/h1-23,41H,(H,40,47)(H,48,49)(H2,39,50,51) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 219 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424252
(CHEMBL2314151)Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2ccc(cc2)S([#7])(=O)=O)c(-[#6](-[#8])=O)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C28H24N6O7S/c1-16(35)24(17(2)36)32-31-20-9-6-10-21(15-20)34-26(18-7-4-3-5-8-18)23(28(38)39)25(33-34)27(37)30-19-11-13-22(14-12-19)42(29,40)41/h3-15,31H,1-2H3,(H,30,37)(H,38,39)(H2,29,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424254
(CHEMBL2314162)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)cc1 |w:31.33| Show InChI InChI=1S/C33H24N6O6S/c34-46(44,45)25-16-14-22(15-17-25)35-32(41)30-28(33(42)43)31(21-8-2-1-3-9-21)39(38-30)24-11-6-10-23(19-24)36-37-29-26-12-5-4-7-20(26)13-18-27(29)40/h1-19,40H,(H,35,41)(H,42,43)(H2,34,44,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 318 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424244
(CHEMBL2314159)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)N=Nc2ccc(O)cc2)cc1 |w:31.33| Show InChI InChI=1S/C29H22N6O6S/c30-42(40,41)24-15-11-19(12-16-24)31-28(37)26-25(29(38)39)27(18-5-2-1-3-6-18)35(34-26)22-8-4-7-21(17-22)33-32-20-9-13-23(36)14-10-20/h1-17,36H,(H,31,37)(H,38,39)(H2,30,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 349 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50424243
(CHEMBL2314160)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C24H17N5O5S/c25-14-15-5-4-8-18(13-15)29-22(16-6-2-1-3-7-16)20(24(31)32)21(28-29)23(30)27-17-9-11-19(12-10-17)35(26,33)34/h1-13H,(H,27,30)(H,31,32)(H2,26,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 379 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424245
(CHEMBL2314158)Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)OC(C)(C)C |w:4.4| Show InChI InChI=1S/C31H30N6O8S/c1-18(38)25(30(42)45-31(2,3)4)35-34-21-11-8-12-22(17-21)37-27(19-9-6-5-7-10-19)24(29(40)41)26(36-37)28(39)33-20-13-15-23(16-14-20)46(32,43)44/h5-17,34H,1-4H3,(H,33,39)(H,40,41)(H2,32,43,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 384 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424252
(CHEMBL2314151)Show SMILES [#6]-[#6](=O)-[#6](=[#7]\[#7]-c1cccc(c1)-n1nc(-[#6](=O)-[#7]-c2ccc(cc2)S([#7])(=O)=O)c(-[#6](-[#8])=O)c1-c1ccccc1)\[#6](-[#6])=O Show InChI InChI=1S/C28H24N6O7S/c1-16(35)24(17(2)36)32-31-20-9-6-10-21(15-20)34-26(18-7-4-3-5-8-18)23(28(38)39)25(33-34)27(37)30-19-11-13-22(14-12-19)42(29,40)41/h3-15,31H,1-2H3,(H,30,37)(H,38,39)(H2,29,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 448 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424247
(CHEMBL2314156)Show SMILES CCCC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)OCC |w:6.6| Show InChI InChI=1S/C31H30N6O8S/c1-3-9-24(38)26(31(42)45-4-2)35-34-21-12-8-13-22(18-21)37-28(19-10-6-5-7-11-19)25(30(40)41)27(36-37)29(39)33-20-14-16-23(17-15-20)46(32,43)44/h5-8,10-18,34H,3-4,9H2,1-2H3,(H,33,39)(H,40,41)(H2,32,43,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 485 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424246
(CHEMBL2314157)Show SMILES COC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)C(C)C |w:5.5| Show InChI InChI=1S/C30H28N6O8S/c1-17(2)27(37)25(30(41)44-3)34-33-20-10-7-11-21(16-20)36-26(18-8-5-4-6-9-18)23(29(39)40)24(35-36)28(38)32-19-12-14-22(15-13-19)45(31,42)43/h4-17,33H,1-3H3,(H,32,38)(H,39,40)(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
Similars
| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424243
(CHEMBL2314160)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C24H17N5O5S/c25-14-15-5-4-8-18(13-15)29-22(16-6-2-1-3-7-16)20(24(31)32)21(28-29)23(30)27-17-9-11-19(12-10-17)35(26,33)34/h1-13H,(H,27,30)(H,31,32)(H2,26,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 806 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424244
(CHEMBL2314159)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)N=Nc2ccc(O)cc2)cc1 |w:31.33| Show InChI InChI=1S/C29H22N6O6S/c30-42(40,41)24-15-11-19(12-16-24)31-28(37)26-25(29(38)39)27(18-5-2-1-3-6-18)35(34-26)22-8-4-7-21(17-22)33-32-20-9-13-23(36)14-10-20/h1-17,36H,(H,31,37)(H,38,39)(H2,30,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50424248
(CHEMBL2314155)Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(C)=O |w:6.6| Show InChI InChI=1S/C29H26N6O8S/c1-3-43-29(40)24(17(2)36)33-32-20-10-7-11-21(16-20)35-26(18-8-5-4-6-9-18)23(28(38)39)25(34-35)27(37)31-19-12-14-22(15-13-19)44(30,41)42/h4-16,32H,3H2,1-2H3,(H,31,37)(H,38,39)(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
| 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dumlupinar University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of human erythrocytes carbonic anhydrase 1 esterase activity by Lineweaver-Burk plot analysis |
Bioorg Med Chem 21: 21-7 (2012)
Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR |
More data for this
Ligand-Target Pair | |
Search and Browse
