Found 6761 hits with Last Name = 'angeli' 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)) | BDBM50329836
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1 Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| MMDB
Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H |
More data for this
Ligand-Target Pair | 
3D Structure (docked) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50563343
(CHEMBL4746390)Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MMP2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 5 min followed by substrate addition and... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113260
BindingDB Entry DOI: 10.7270/Q2WW7NF0 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50563342
(CHEMBL4797032)Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MMP2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 5 min followed by substrate addition and... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113260
BindingDB Entry DOI: 10.7270/Q2WW7NF0 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50329836
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1 Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50563342
(CHEMBL4797032)Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MMP9 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 5 min followed by substrate addition and... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113260
BindingDB Entry DOI: 10.7270/Q2WW7NF0 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50517085
(CHEMBL4545711)Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600
BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50279697
(CHEMBL4164295)Show SMILES [#6]-[#6](=[#6])-[#6@@H]-1-[#6]-[#6]C([#6])([#8])[#6](-[#6]-1)[Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C16H23NO3SSe/c1-11(2)12-8-9-16(3,18)15(10-12)22-14-6-4-13(5-7-14)21(17,19)20/h4-7,12,15,18H,1,8-10H2,2-3H3,(H2,17,19,20)/t12-,15?,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387
BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239278
(CHEMBL4095957)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239281
(CHEMBL4100218)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50513286
(CHEMBL4470319)Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccc(-[#7]-[#6](=O)-[#6]-[#7]-3-[#6](=O)-[#7]C4([#6]-[#6]-[#6]-[#6]-[#6]4)[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C23H26N4O5SSe/c24-33(31,32)18-8-4-16(5-9-18)15-34-19-10-6-17(7-11-19)25-20(28)14-27-21(29)23(26-22(27)30)12-2-1-3-13-23/h4-11H,1-3,12-15H2,(H,25,28)(H,26,30)(H2,24,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
Eur J Med Chem 177: 188-197 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.058
BindingDB Entry DOI: 10.7270/Q2T156ZB |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239283
(CHEMBL4068642)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239275
(CHEMBL4073364)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(F)cc1 Show InChI InChI=1S/C22H19FN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515869
(CHEMBL4577408)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCO)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H22ClN3O5S/c21-14-4-2-13(3-5-14)19-17(20(27)23-10-1-11-25)12-18(26)24(19)15-6-8-16(9-7-15)30(22,28)29/h2-9,17,19,25H,1,10-12H2,(H,23,27)(H2,22,28,29)/t17-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111642
BindingDB Entry DOI: 10.7270/Q2C250SX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50517085
(CHEMBL4545711)Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600
BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50341392
(CHEMBL4171524)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1 Show InChI InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay |
ACS Med Chem Lett 9: 462-467 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50341395
(CHEMBL4175369)Show InChI InChI=1S/C9H9NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h1,3-6H,7H2,(H2,10,11,12) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay |
ACS Med Chem Lett 9: 462-467 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50563341
(CHEMBL4800470)Show SMILES ONC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C#Cc1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
TBA
| Assay Description
Inhibition of MMP2 (unknown origin) using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 5 min followed by substrate addition and... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113260
BindingDB Entry DOI: 10.7270/Q2WW7NF0 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50555722
(CHEMBL4793920)Show SMILES Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(NC(=O)CCNCCc2ccc(cc2)S(N)(=O)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CA12 incubated for 15 mins by stopped- flow CO2 hydrase assay method |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112478
BindingDB Entry DOI: 10.7270/Q2571GPQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50341389
(CHEMBL4164747)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]=[#6])cc1 Show InChI InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay |
ACS Med Chem Lett 9: 462-467 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239282
(CHEMBL4099267)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50341393
(CHEMBL4165154)Show SMILES [#6]-[#6](-[#6])[Se;v2]c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C9H13NO2SSe/c1-7(2)14-9-5-3-8(4-6-9)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay |
ACS Med Chem Lett 9: 462-467 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50239277
(CHEMBL4081248)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50431213
(CHEMBL2332604)Show SMILES [#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#6]-c3cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c4ccc(-[#8])cc4)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O)cc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-2)c3 |r| Show InChI InChI=1S/C59H82N16O15S3/c1-32-50(82)70-39(21-33-10-12-37(76)13-11-33)53(85)71-41(52(84)66-25-49(80)81)30-92-27-35-18-34-19-36(20-35)28-93-31-42(57(89)75-17-5-9-45(75)58(90)74-16-4-7-43(74)54(86)67-32)72-55(87)44-8-3-15-73(44)56(88)38(6-2-14-63-59(61)62)68-48(79)24-64-47(78)23-65-51(83)40(29-91-26-34)69-46(77)22-60/h10-13,18-20,32,38-45,76H,2-9,14-17,21-31,60H2,1H3,(H,64,78)(H,65,83)(H,66,84)(H,67,86)(H,68,79)(H,69,77)(H,70,82)(H,71,85)(H,72,87)(H,80,81)(H4,61,62,63)/t32-,38?,39-,40-,41-,42-,43-,44-,45-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Polytechnique F�d�rale de Lausanne EPFL
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant polyhistidine-tagged plasma kallikrein expressed in Escherichia coli XL1 blue using Z-FR-AMC as substrate by fluorime... |
J Med Chem 56: 3742-6 (2013)
Article DOI: 10.1021/jm400236j
BindingDB Entry DOI: 10.7270/Q2GX4CXF |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50511588
(CHEMBL4453207)Show SMILES [#6]-[#8]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO3STe/c1-18-12-4-8-14(9-5-12)20-10-11-2-6-13(7-3-11)19(15,16)17/h2-9H,10H2,1H3,(H2,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA7 preincubated for 15 mins by measured for 10 to 100 secs by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128147
BindingDB Entry DOI: 10.7270/Q27S7SJ2 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50341388
(CHEMBL4159208)Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]-c2ccccc2)cc1 Show InChI InChI=1S/C14H15NO2SSe/c15-18(16,17)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay |
ACS Med Chem Lett 9: 462-467 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515853
(CHEMBL4573177)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCC(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H20ClN3O6S/c21-13-3-1-12(2-4-13)19-16(20(28)23-10-9-18(26)27)11-17(25)24(19)14-5-7-15(8-6-14)31(22,29)30/h1-8,16,19H,9-11H2,(H,23,28)(H,26,27)(H2,22,29,30)/t16-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Saint Petersburg State University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111642
BindingDB Entry DOI: 10.7270/Q2C250SX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239282
(CHEMBL4099267)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Br)cc1 Show InChI InChI=1S/C22H19BrN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50279714
(CHEMBL4162168)Show SMILES [#6]-[#6](-[#6])-[#6@@H](-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O)-[#7]S(=O)(=O)c1ccc(-[#6])cc1 |r| Show InChI InChI=1S/C18H24N2O4S2Se/c1-13(2)18(20-26(23,24)16-6-4-14(3)5-7-16)12-27-17-10-8-15(9-11-17)25(19,21)22/h4-11,13,18,20H,12H2,1-3H3,(H2,19,21,22)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387
BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50547697
(CHEMBL4739913) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01390
BindingDB Entry DOI: 10.7270/Q2BC435H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50331834
(5-butyramido-2-sulfamoyl-1,3,4-thiadiazole | CHEMB...)Show InChI InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01390
BindingDB Entry DOI: 10.7270/Q2BC435H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50517085
(CHEMBL4545711)Show SMILES NS(=O)(=O)c1nnc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)s1 Show InChI InChI=1S/C10H7ClF3N5O3S2/c11-6-2-1-4(3-5(6)10(12,13)14)16-7(20)17-8-18-19-9(23-8)24(15,21)22/h1-3H,(H2,15,21,22)(H2,16,17,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111600
BindingDB Entry DOI: 10.7270/Q2542RZZ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50341394
(CHEMBL4171921)Show SMILES [#6]-[#6]-[#6]-[#6]-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C11H17NO2SSe/c1-2-3-4-9-16-11-7-5-10(6-8-11)15(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay |
ACS Med Chem Lett 9: 462-467 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515868
(CHEMBL4521611)Show SMILES CN1CCN(CCCNC(=O)[C@H]2CC(=O)N([C@@H]2c2ccc(Cl)cc2)c2ccc(cc2)S(N)(=O)=O)CC1 |r| Show InChI InChI=1S/C25H32ClN5O4S/c1-29-13-15-30(16-14-29)12-2-11-28-25(33)22-17-23(32)31(24(22)18-3-5-19(26)6-4-18)20-7-9-21(10-8-20)36(27,34)35/h3-10,22,24H,2,11-17H2,1H3,(H,28,33)(H2,27,34,35)/t22-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111642
BindingDB Entry DOI: 10.7270/Q2C250SX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239277
(CHEMBL4081248)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN2O5S/c23-16-5-1-13(2-6-16)21-18-12-20(27)19(26)11-15(18)9-10-25(21)22(28)14-3-7-17(8-4-14)31(24,29)30/h1-8,11-12,21,26-27H,9-10H2,(H2,24,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176610
(CHEMBL3808876)Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1 Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50538706
(CHEMBL4649709)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H18FN3O4S/c19-15-3-1-2-14(12-15)18(24)22-10-8-21(9-11-22)17(23)13-4-6-16(7-5-13)27(20,25)26/h1-7,12H,8-11H2,(H2,20,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay |
ACS Med Chem Lett 11: 1000-1005 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00062
BindingDB Entry DOI: 10.7270/Q2CJ8J1N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515558
(CHEMBL4535036)Show SMILES [#7]S(=O)(=O)c1ccc(-[#8]-[#6]-[#6](-[#8])-[#6][Te;v2]c2ccccc2)cc1 Show InChI InChI=1S/C15H17NO4STe/c16-21(18,19)14-8-6-13(7-9-14)20-10-12(17)11-22-15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,16,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111586
BindingDB Entry DOI: 10.7270/Q2Z03CJ5 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM16668
(2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)Show InChI InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12) | PDB
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| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01390
BindingDB Entry DOI: 10.7270/Q2BC435H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50331835
(5-(2-methyl-propylamido)-2-sulfamoyl-1,3,4-thiadia...)Show InChI InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11) | PDB
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| CHEMBL
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 expressed in Escherichia coli BL21 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration as... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01390
BindingDB Entry DOI: 10.7270/Q2BC435H |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515303
(CHEMBL4435346)Show InChI InChI=1S/C16H20N2O3S/c1-3-11-18(12-4-2)13-5-6-14-21-15-7-9-16(10-8-15)22(17,19)20/h1-2,7-10H,5-6,11-14H2,(H2,17,19,20) | PDB
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| PC cid
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UniChem
| Article
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| 0.440 | 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 measured for 10 to 100 secs by phenol red-based stopped-f... |
J Med Chem 62: 7233-7249 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50572410
(CHEMBL4869520) | PDB
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UniChem
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01889
BindingDB Entry DOI: 10.7270/Q2ZW1QQR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50507824
(CHEMBL4437968)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23) | PDB
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| PDB
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PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human carbonic anhydrase-7 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped... |
Eur J Med Chem 163: 443-452 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.073
BindingDB Entry DOI: 10.7270/Q23B63FB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176458
(CHEMBL3809959)Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20) | PDB
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PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50239274
(CHEMBL4079453)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCc2cc(O)ccc2C1c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c23-29(27,28)19-9-6-16(7-10-19)22(26)24-13-12-17-14-18(25)8-11-20(17)21(24)15-4-2-1-3-5-15/h1-11,14,21,25H,12-13H2,(H2,23,27,28) | PDB
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| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay |
J Med Chem 60: 4316-4326 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00264
BindingDB Entry DOI: 10.7270/Q2RB76RW |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50507824
(CHEMBL4437968)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human carbonic anhydrase-2 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped... |
Eur J Med Chem 163: 443-452 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.073
BindingDB Entry DOI: 10.7270/Q23B63FB |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50261590
(CHEMBL4059984)Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC Show InChI InChI=1S/C17H18N2O5S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(20)19-13-5-7-14(8-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+ | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 25: 5726-5732 (2017)
Article DOI: 10.1016/j.bmc.2017.08.047
BindingDB Entry DOI: 10.7270/Q2T72KXC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50507821
(CHEMBL4453778)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25) | PDB
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped-flow carbon dioxide hydration assay |
ACS Med Chem Lett 11: 1000-1005 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00062
BindingDB Entry DOI: 10.7270/Q2CJ8J1N |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50507821
(CHEMBL4453778)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C18H20FN3O3S/c19-16-5-1-14(2-6-16)13-21-9-11-22(12-10-21)18(23)15-3-7-17(8-4-15)26(20,24)25/h1-8H,9-13H2,(H2,20,24,25) | PDB
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| PC cid
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Messina
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human carbonic anhydrase-2 assessed as reduction in CO2 hydration after 15 mins by phenol red dye based stopped... |
Eur J Med Chem 163: 443-452 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.073
BindingDB Entry DOI: 10.7270/Q23B63FB |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50279696
(CHEMBL4173889)Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O |r| Show InChI InChI=1S/C11H18N2O2SSe/c1-8(2)11(12)7-17-10-5-3-9(4-6-10)16(13,14)15/h3-6,8,11H,7,12H2,1-2H3,(H2,13,14,15)/t11-/m1/s1 | PDB
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| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins by stopped flow CO2 hydrase assay |
ACS Med Chem Lett 8: 1213-1217 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00387
BindingDB Entry DOI: 10.7270/Q22Z182G |
More data for this
Ligand-Target Pair | |
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