Found 434 hits with Last Name = 'berrino' and Initial = 'e' 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)) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 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 9
(Homo sapiens (Human)) | BDBM50341403
(CHEMBL4173265)Show InChI InChI=1S/C14H14N4O3S/c15-22(20,21)10-6-4-9(5-7-10)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H2,15,20,21)(H,16,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341402
(CHEMBL4167173)Show InChI InChI=1S/C15H13N5O2S/c16-23(21,22)12-4-2-11(3-5-12)20-15-10(7-19-20)1-6-14-13(15)8-17-9-18-14/h2-5,7-9H,1,6H2,(H2,16,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50539860
(CHEMBL4644555)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCOc3ccc4ccc(=O)oc4c3)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C24H25N5O7/c1-14-11-28(24(33)25-23(14)32)21-10-18(20(13-30)35-21)29-12-16(26-27-29)3-2-8-34-17-6-4-15-5-7-22(31)36-19(15)9-17/h4-7,9,11-12,18,20-21,30H,2-3,8,10,13H2,1H3,(H,25,32,33)/t18-,20+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA7 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50539861
(CHEMBL4638601)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCCOc3ccc4ccc(=O)oc4c3)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C25H27N5O7/c1-15-12-29(25(34)26-24(15)33)22-11-19(21(14-31)36-22)30-13-17(27-28-30)4-2-3-9-35-18-7-5-16-6-8-23(32)37-20(16)10-18/h5-8,10,12-13,19,21-22,31H,2-4,9,11,14H2,1H3,(H,26,33,34)/t19-,21+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA7 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50539856
(CHEMBL4649280)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCCOc3cc(=O)oc4ccccc34)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C25H27N5O7/c1-15-12-29(25(34)26-24(15)33)22-10-18(21(14-31)36-22)30-13-16(27-28-30)6-4-5-9-35-20-11-23(32)37-19-8-3-2-7-17(19)20/h2-3,7-8,11-13,18,21-22,31H,4-6,9-10,14H2,1H3,(H,26,33,34)/t18-,21+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA7 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(Homo sapiens (Human)) | BDBM50539858
(CHEMBL4639447)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CCCOc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C24H25N5O7/c1-14-11-28(24(33)25-23(14)32)21-10-18(20(13-30)35-21)29-12-16(26-27-29)3-2-8-34-17-5-6-19-15(9-17)4-7-22(31)36-19/h4-7,9,11-12,18,20-21,30H,2-3,8,10,13H2,1H3,(H,25,32,33)/t18-,20+,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA7 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341401
(CHEMBL4165351)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2c1CC(CC2=O)c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-8-6-15(7-9-16)22-18-10-14(13-4-2-1-3-5-13)11-19(23)17(18)12-21-22/h1-9,12,14H,10-11H2,(H2,20,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50544904
(CHEMBL4649658)Show SMILES CC(=O)C(NNc1ccc(cc1)S(N)(=O)=O)Sc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C17H17N5O4S2/c1-10(23)16(22-21-11-6-8-12(9-7-11)28(18,25)26)27-17-19-14-5-3-2-4-13(14)15(24)20-17/h2-9,16,21-22H,1H3,(H2,18,25,26)(H,19,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
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 dye based stopp... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341405
(CHEMBL4169838)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CC(Cc3n2)c2ccccc2)cc1 Show InChI InChI=1S/C20H18N4O3S/c21-28(26,27)16-8-6-15(7-9-16)23-20-22-12-17-18(24-20)10-14(11-19(17)25)13-4-2-1-3-5-13/h1-9,12,14H,10-11H2,(H2,21,26,27)(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-... |
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 12
(Homo sapiens (Human)) | BDBM50515302
(CHEMBL4462614)Show InChI InChI=1S/C9H9NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(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
| Article
PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-... |
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 9
(Homo sapiens (Human)) | BDBM50341404
(CHEMBL4169089)Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(N)(=O)=O)C(=O)C1 Show InChI InChI=1S/C15H17N3O3S/c1-15(2)7-13-12(14(19)8-15)9-17-18(13)10-3-5-11(6-4-10)22(16,20)21/h3-6,9H,7-8H2,1-2H3,(H2,16,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341400
(CHEMBL4161917)Show SMILES CC1(C)CC(=O)c2cnc(Nc3ccc(cc3)S(N)(=O)=O)nc2C1 Show InChI InChI=1S/C16H18N4O3S/c1-16(2)7-13-12(14(21)8-16)9-18-15(20-13)19-10-3-5-11(6-4-10)24(17,22)23/h3-6,9H,7-8H2,1-2H3,(H2,17,22,23)(H,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50544905
(CHEMBL4640889)Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)n2)cc1 Show InChI InChI=1S/C17H14F3N5O4S2/c18-17(19,20)11-2-1-3-14(10-11)31(28,29)25-16-22-9-8-15(24-16)23-12-4-6-13(7-5-12)30(21,26)27/h1-10H,(H2,21,26,27)(H2,22,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) using 4-nitrophenyl acetate as substrate incubated for ... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50539849
(CHEMBL4632724)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H22N6O8S/c1-11-7-25(20(30)22-18(11)28)17-6-15(16(9-27)34-17)26-8-13(23-24-26)10-33-19(29)12-2-4-14(5-3-12)35(21,31)32/h2-5,7-8,15-17,27H,6,9-10H2,1H3,(H2,21,31,32)(H,22,28,30)/t15-,16+,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50580098
(CHEMBL5075948)Show SMILES Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI: 10.7270/Q2V4103G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 7
(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
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI: 10.7270/Q2V4103G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 7
(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
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA7 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 12
(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
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-... |
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 12
(Homo sapiens (Human)) | BDBM50539866
(CHEMBL4648357)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COc3ccc4OS(=O)(=O)C=Cc4c3)nn2)c(=O)[nH]c1=O |r,c:25| Show InChI InChI=1S/C21H21N5O8S/c1-12-8-25(21(29)22-20(12)28)19-7-16(18(10-27)33-19)26-9-14(23-24-26)11-32-15-2-3-17-13(6-15)4-5-35(30,31)34-17/h2-6,8-9,16,18-19,27H,7,10-11H2,1H3,(H,22,28,29)/t16-,18+,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50580101
(CHEMBL5081179)Show SMILES Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4OS(=O)(=O)C=Cc4c3)nn2)c(=O)[nH]c1=O |r,c:25| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI: 10.7270/Q2V4103G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50561903
(CHEMBL4761063) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CA2 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00417
BindingDB Entry DOI: 10.7270/Q2VH5SJ4 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50539859
(CHEMBL4644661)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COc3ccc4ccc(=O)oc4c3)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H21N5O7/c1-12-8-26(22(31)23-21(12)30)19-7-16(18(10-28)33-19)27-9-14(24-25-27)11-32-15-4-2-13-3-5-20(29)34-17(13)6-15/h2-6,8-9,16,18-19,28H,7,10-11H2,1H3,(H,23,30,31)/t16-,18+,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50580100
(CHEMBL5089227)Show SMILES Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI: 10.7270/Q2V4103G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50539857
(CHEMBL4635964)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COc3ccc4oc(=O)ccc4c3)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C22H21N5O7/c1-12-8-26(22(31)23-21(12)30)19-7-16(18(10-28)33-19)27-9-14(24-25-27)11-32-15-3-4-17-13(6-15)2-5-20(29)34-17/h2-6,8-9,16,18-19,28H,7,10-11H2,1H3,(H,23,30,31)/t16-,18+,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50580098
(CHEMBL5075948)Show SMILES Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI: 10.7270/Q2V4103G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50539849
(CHEMBL4632724)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H22N6O8S/c1-11-7-25(20(30)22-18(11)28)17-6-15(16(9-27)34-17)26-8-13(23-24-26)10-33-19(29)12-2-4-14(5-3-12)35(21,31)32/h2-5,7-8,15-17,27H,6,9-10H2,1H3,(H2,21,31,32)(H,22,28,30)/t15-,16+,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA9 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | 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 9 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)) | BDBM50544906
(CHEMBL4639543)Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(NS(=O)(=O)c3cccnc3)n2)cc1 Show InChI InChI=1S/C15H14N6O4S2/c16-26(22,23)12-5-3-11(4-6-12)19-14-7-9-18-15(20-14)21-27(24,25)13-2-1-8-17-10-13/h1-10H,(H2,16,22,23)(H2,18,19,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli BL21 (DE3) using 4-nitrophenyl acetate as substrate incubated for ... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50341402
(CHEMBL4167173)Show InChI InChI=1S/C15H13N5O2S/c16-23(21,22)12-4-2-11(3-5-12)20-15-10(7-19-20)1-6-14-13(15)8-17-9-18-14/h2-5,7-9H,1,6H2,(H2,16,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50561904
(CHEMBL4761680) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human CA2 pre-incubated for 15 mins prior to testing by phenol red-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00417
BindingDB Entry DOI: 10.7270/Q2VH5SJ4 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50341403
(CHEMBL4173265)Show InChI InChI=1S/C14H14N4O3S/c15-22(20,21)10-6-4-9(5-7-10)17-14-16-8-11-12(18-14)2-1-3-13(11)19/h4-8H,1-3H2,(H2,15,20,21)(H,16,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341397
(CHEMBL4176953)Show InChI InChI=1S/C13H13N3O3S/c14-20(18,19)10-6-4-9(5-7-10)16-12-2-1-3-13(17)11(12)8-15-16/h4-8H,1-3H2,(H2,14,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50341401
(CHEMBL4165351)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2c1CC(CC2=O)c1ccccc1 Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-8-6-15(7-9-16)22-18-10-14(13-4-2-1-3-5-13)11-19(23)17(18)12-21-22/h1-9,12,14H,10-11H2,(H2,20,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50539854
(CHEMBL4636477)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(C[Se]c3ccc(NC(=S)Nc4ccc(cc4)S(N)(=O)=O)cc3)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C26H28N8O6S2Se/c1-15-11-33(26(37)30-24(15)36)23-10-21(22(13-35)40-23)34-12-18(31-32-34)14-43-20-8-4-17(5-9-20)29-25(41)28-16-2-6-19(7-3-16)42(27,38)39/h2-9,11-12,21-23,35H,10,13-14H2,1H3,(H2,27,38,39)(H2,28,29,41)(H,30,36,37)/t21-,22+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI: 10.7270/Q2V4103G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red dye based stopped-flow CO2... |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2020.115329
BindingDB Entry DOI: 10.7270/Q2057KHR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-... |
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 |
3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
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UniChem
Patents
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| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515301
(CHEMBL4566851)Show InChI InChI=1S/C14H16N2O2S/c1-3-10-16(11-4-2)12-9-13-5-7-14(8-6-13)19(15,17)18/h1-2,5-8H,9-12H2,(H2,15,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.80 | 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)) | BDBM50341405
(CHEMBL4169838)Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3C(=O)CC(Cc3n2)c2ccccc2)cc1 Show InChI InChI=1S/C20H18N4O3S/c21-28(26,27)16-8-6-15(7-9-16)23-20-22-12-17-18(24-20)10-14(11-19(17)25)13-4-2-1-3-5-13/h1-9,12,14H,10-11H2,(H2,21,26,27)(H,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50539865
(CHEMBL4638841)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COc3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C19H22N6O7S/c1-11-7-24(19(28)21-18(11)27)17-6-15(16(9-26)32-17)25-8-12(22-23-25)10-31-13-2-4-14(5-3-13)33(20,29)30/h2-5,7-8,15-17,26H,6,9-10H2,1H3,(H2,20,29,30)(H,21,27,28)/t15-,16+,17+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA9 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50580099
(CHEMBL5078071)Show SMILES Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(CNC(=O)Nc3cccc(c3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI: 10.7270/Q2V4103G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50539851
(CHEMBL4643353)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(CNC(=O)Nc3cccc(c3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H24N8O7S/c1-11-8-27(20(32)24-18(11)30)17-6-15(16(10-29)35-17)28-9-13(25-26-28)7-22-19(31)23-12-3-2-4-14(5-12)36(21,33)34/h2-5,8-9,15-17,29H,6-7,10H2,1H3,(H2,21,33,34)(H2,22,23,31)(H,24,30,32)/t15-,16+,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50539849
(CHEMBL4632724)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C20H22N6O8S/c1-11-7-25(20(30)22-18(11)28)17-6-15(16(9-27)34-17)26-8-13(23-24-26)10-33-19(29)12-2-4-14(5-3-12)35(21,31)32/h2-5,7-8,15-17,27H,6,9-10H2,1H3,(H2,21,31,32)(H,22,28,30)/t15-,16+,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50580098
(CHEMBL5075948)Show SMILES Cc1cn([C@H]2C[C@H]([C@@H](CO)O2)n2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)c(=O)[nH]c1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00756
BindingDB Entry DOI: 10.7270/Q2V4103G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50341399
(CHEMBL4159913)Show SMILES Cc1ncc2-c3c(CCc2n1)cnn3-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H15N5O2S/c1-10-18-9-14-15(20-10)7-2-11-8-19-21(16(11)14)12-3-5-13(6-4-12)24(17,22)23/h3-6,8-9H,2,7H2,1H3,(H2,17,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50341402
(CHEMBL4167173)Show InChI InChI=1S/C15H13N5O2S/c16-23(21,22)12-4-2-11(3-5-12)20-15-10(7-19-20)1-6-14-13(15)8-17-9-18-14/h2-5,7-9H,1,6H2,(H2,16,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
J Med Chem 61: 5765-5770 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00670
BindingDB Entry DOI: 10.7270/Q2DB84F9 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50539854
(CHEMBL4636477)Show SMILES Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(C[Se]c3ccc(NC(=S)Nc4ccc(cc4)S(N)(=O)=O)cc3)nn2)c(=O)[nH]c1=O |r| Show InChI InChI=1S/C26H28N8O6S2Se/c1-15-11-33(26(37)30-24(15)36)23-10-21(22(13-35)40-23)34-12-18(31-32-34)14-43-20-8-4-17(5-9-20)29-25(41)28-16-2-6-19(7-3-16)42(27,38)39/h2-9,11-12,21-23,35H,10,13-14H2,1H3,(H2,27,38,39)(H2,28,29,41)(H,30,36,37)/t21-,22+,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped flow CO2 hydrase assay |
J Med Chem 63: 7392-7409 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00636
BindingDB Entry DOI: 10.7270/Q2F47SNQ |
More data for this
Ligand-Target Pair | |
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