Found 213 hits with Last Name = 'baglini' 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 |
|---|
Translocator protein
(Homo sapiens (Human)) | BDBM50421116
(CHEMBL2088374)Show SMILES COc1ccc(cc1)-c1ccc2oc(=O)n(CC(=O)N(C)c3ccccc3)c2c1 Show InChI InChI=1S/C23H20N2O4/c1-24(18-6-4-3-5-7-18)22(26)15-25-20-14-17(10-13-21(20)29-23(25)27)16-8-11-19(28-2)12-9-16/h3-14H,15H2,1-2H3 | KEGG
UniProtKB/SwissProt
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM22041
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | 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.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50588817
(CHEMBL5193551)Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(OC)cc1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | 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.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
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 |
TBA
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Translocator protein
(Bos taurus) | BDBM50019213
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11| Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
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 |
TBA
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Translocator protein
(Bos taurus) | BDBM50000766
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 1.10 | 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.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cathepsin K
(Homo sapiens (Human)) | BDBM50601464
(CHEMBL5195850)Show SMILES CCN(CC)c1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50143225
(CHEMBL300762 | N,N-Dibutyl-2-[5-chloro-2-(4-chloro...)Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N2O2/c1-3-5-13-28(14-6-4-2)24(30)23(29)21-19-15-18(26)11-12-20(19)27-22(21)16-7-9-17(25)10-8-16/h7-12,15,27H,3-6,13-14H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50588815
(CHEMBL5208364)Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1cccc(c1)[N+]([O-])=O)c1ccccc1O[11CH3] | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | 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.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
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 |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
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 |
TBA
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50601465
(CHEMBL5204536)Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(C)cc12)-c1ccccc1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50143238
(2-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-N,N...)Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H34Cl2N2O2/c1-3-5-7-9-17-32(18-10-8-6-4-2)28(34)27(33)25-23-19-22(30)15-16-24(23)31-26(25)20-11-13-21(29)14-12-20/h11-16,19,31H,3-10,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50588814
(CHEMBL5181329)Show SMILES CN(C(=O)Cn1c2cc(ccc2oc1=O)-c1ccc(OCC[18F])cc1)c1ccccc1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.60 | 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.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50243007
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1 Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7 | 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.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22041
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | 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.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | PDB
KEGG
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| Purchase
CHEMBL
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UniChem
Patents
Similars
| PDB
Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 4
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50258312
(CHEMBL4095528)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C25H21N5O3/c26-23(32)22(31)21(16-17-8-3-1-4-9-17)28-25(33)19-12-7-14-27-24(19)30-15-13-20(29-30)18-10-5-2-6-11-18/h1-15,21H,16H2,(H2,26,32)(H,28,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50588816
(CHEMBL5191240)Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(O)cc1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 22 | 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.2020.112924
BindingDB Entry DOI: 10.7270/Q25D8WSD |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22040
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10| Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3 | PDB
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PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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MCE
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| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA9 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50601464
(CHEMBL5195850)Show SMILES CCN(CC)c1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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UniChem
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PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50258383
(CHEMBL4063636)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
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MMDB
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UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(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
Reactome pathway
KEGG
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B.MOAD
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50601464
(CHEMBL5195850)Show SMILES CCN(CC)c1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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UniChem
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
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| DrugBank
PDB
Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50601468
(CHEMBL5179024)Show SMILES CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c([nH]c2ccc(cc12)N=C=S)-c1ccccc1 |r| | KEGG
UniProtKB/SwissProt
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| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Bos taurus) | BDBM50055261
(CHEMBL75307 | N-Benzyl-2-(5-nitro-1H-indol-3-yl)-2...)Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3ccccc3)c2c1 Show InChI InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22) | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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UniChem
Similars
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PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50601464
(CHEMBL5195850)Show SMILES CCN(CC)c1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50601467
(CHEMBL5169788)Show SMILES CC(C)C[C@H](NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r| | KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 202 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(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
| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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CHEMBL
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MCE
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PC cid
PC sid
PDB
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Similars
| DrugBank
PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 1
(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
| 272 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(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
| 296 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50573533
(CHEMBL4873134)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc3c2CC(CC3=O)c2ccccc2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50601466
(CHEMBL5172740)Show SMILES CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1 |r| | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 438 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(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
| 746 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50573535
(CHEMBL4861393)Show SMILES [O-][N+](=O)c1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc3c2CC(CC3=O)c2ccccc2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50573524
(CHEMBL4878097)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc3c2CCCC3=O)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA1 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50573534
(CHEMBL4872990)Show SMILES Clc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc3c2CC(CC3=O)c2ccccc2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50573542
(CHEMBL4872434)Show SMILES COc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc3c2CC(C)(C)CC3=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50601464
(CHEMBL5195850)Show SMILES CCN(CC)c1ccc(\C=C\c2ccccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01808
BindingDB Entry DOI: 10.7270/Q2SF316G |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50573543
(CHEMBL4878111)Show SMILES CC1(C)Cc2c(cnn2-c2ccc(cc2)S(=O)(=O)Nc2ccc(Cl)cc2)C(=O)C1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50573545
(CHEMBL4853204)Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc3c2CC(C)(C)CC3=O)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human CA2 preincubated for 15 mins by phenol red dye-based stopped-flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113490
BindingDB Entry DOI: 10.7270/Q2SX6J0Z |
More data for this
Ligand-Target Pair | |
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