Found 1644 hits of ki for UniProtKB: P22748 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
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 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 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 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 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 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 4
(Homo sapiens (Human)) | BDBM50230195
(CHEMBL4100903)Show SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)NCCOc1ccc2oc(=O)ccc2c1 Show InChI InChI=1S/C24H27NO4/c1-16(2)14-18-4-6-19(7-5-18)17(3)24(27)25-12-13-28-21-9-10-22-20(15-21)8-11-23(26)29-22/h4-11,15-17H,12-14H2,1-3H3,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.440 | 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 CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay |
J Med Chem 60: 1159-1170 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515873
(CHEMBL4586855)Show SMILES CN(C)CCCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C22H27ClN4O4S/c1-26(2)13-3-12-25-22(29)19-14-20(28)27(21(19)15-4-6-16(23)7-5-15)17-8-10-18(11-9-17)32(24,30)31/h4-11,19,21H,3,12-14H2,1-2H3,(H,25,29)(H2,24,30,31)/t19-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.520 | 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 4
(Homo sapiens (Human)) | BDBM50209283
(CHEMBL3885230)Show SMILES COc1ccc(cc1)[C@H]1[C@@H](N(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-18-9-4-15(5-10-18)22-23(16-6-13-20(31-2)21(14-16)32-3)26(24(22)27)17-7-11-19(12-8-17)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 25: 539-544 (2017)
Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515874
(CHEMBL4550339)Show SMILES CC(=O)OCCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H22ClN3O6S/c1-13(26)31-11-10-24-21(28)18-12-19(27)25(20(18)14-2-4-15(22)5-3-14)16-6-8-17(9-7-16)32(23,29)30/h2-9,18,20H,10-12H2,1H3,(H,24,28)(H2,23,29,30)/t18-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.590 | 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 4
(Homo sapiens (Human)) | BDBM50515843
(CHEMBL4446872)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H27ClN4O5S/c24-17-3-1-16(2-4-17)22-20(23(30)26-9-10-27-11-13-33-14-12-27)15-21(29)28(22)18-5-7-19(8-6-18)34(25,31)32/h1-8,20,22H,9-15H2,(H,26,30)(H2,25,31,32)/t20-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.610 | 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 4
(Homo sapiens (Human)) | BDBM50209288
(CHEMBL3885451)Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-13-16(14-20(31-2)23(19)32-3)22-21(15-7-5-4-6-8-15)24(27)26(22)17-9-11-18(12-10-17)33(25,28)29/h4-14,21-22H,1-3H3,(H2,25,28,29)/t21-,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 25: 539-544 (2017)
Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50209225
(CHEMBL3883807)Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1 |r| Show InChI InChI=1S/C22H22N2O6S2/c1-28-14-11-16(29-2)19(17(12-14)30-3)21-20(18-5-4-10-31-18)22(25)24(21)13-6-8-15(9-7-13)32(23,26)27/h4-12,20-21H,1-3H3,(H2,23,26,27)/t20-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 25: 539-544 (2017)
Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515878
(CHEMBL4569748)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCC(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClN3O6S/c20-12-3-1-11(2-4-12)18-15(19(27)22-10-17(25)26)9-16(24)23(18)13-5-7-14(8-6-13)30(21,28)29/h1-8,15,18H,9-10H2,(H,22,27)(H,25,26)(H2,21,28,29)/t15-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.650 | 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 4
(Homo sapiens (Human)) | BDBM50515877
(CHEMBL4462700)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCn1ccnc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H24ClN5O4S/c24-17-4-2-16(3-5-17)22-20(23(31)27-10-1-12-28-13-11-26-15-28)14-21(30)29(22)18-6-8-19(9-7-18)34(25,32)33/h2-9,11,13,15,20,22H,1,10,12,14H2,(H,27,31)(H2,25,32,33)/t20-,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.660 | 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 4
(Homo sapiens (Human)) | BDBM50230205
(CHEMBL4088636)Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(=O)NCCOc1ccc2oc(=O)ccc2c1 |r| Show InChI InChI=1S/C25H23NO5/c1-16(17-3-4-19-14-21(29-2)7-5-18(19)13-17)25(28)26-11-12-30-22-8-9-23-20(15-22)6-10-24(27)31-23/h3-10,13-16H,11-12H2,1-2H3,(H,26,28)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay |
J Med Chem 60: 1159-1170 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50331833
(5-propylamido-2-sulfamoyl-1,3,4-thiadiazole | CHEM...)Show InChI InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10) | 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
| 0.780 | 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)) | BDBM50230197
(CHEMBL4060402)Show SMILES O=C(NCCOc1ccc2oc(=O)ccc2c1)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI InChI=1S/C26H22N2O5/c29-24-11-6-18-16-19(7-10-23(18)33-24)32-15-13-27-26(31)20-12-14-28-21(20)8-9-22(28)25(30)17-4-2-1-3-5-17/h1-11,16,20H,12-15H2,(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
University of Florence
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay |
J Med Chem 60: 1159-1170 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50230196
(CHEMBL4096350)Show SMILES CC(C(=O)NCCOc1ccc2oc(=O)ccc2c1)c1ccc(c(F)c1)-c1ccccc1 Show InChI InChI=1S/C26H22FNO4/c1-17(19-7-10-22(23(27)16-19)18-5-3-2-4-6-18)26(30)28-13-14-31-21-9-11-24-20(15-21)8-12-25(29)32-24/h2-12,15-17H,13-14H2,1H3,(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.810 | 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 CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay |
J Med Chem 60: 1159-1170 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515846
(CHEMBL4586708)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H29ClN4O4S/c25-18-6-4-17(5-7-18)23-21(24(31)27-12-3-15-28-13-1-2-14-28)16-22(30)29(23)19-8-10-20(11-9-19)34(26,32)33/h4-11,21,23H,1-3,12-16H2,(H,27,31)(H2,26,32,33)/t21-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.890 | 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 4
(Homo sapiens (Human)) | BDBM50589828
(CHEMBL5197745) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515848
(CHEMBL4476050)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCO)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H20ClN3O5S/c20-13-3-1-12(2-4-13)18-16(19(26)22-9-10-24)11-17(25)23(18)14-5-7-15(8-6-14)29(21,27)28/h1-8,16,18,24H,9-11H2,(H,22,26)(H2,21,27,28)/t16-,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.900 | 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 4
(Homo sapiens (Human)) | BDBM50589822
(CHEMBL5207894) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50589823
(CHEMBL5199926) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50589824
(CHEMBL5177103) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50082759
(CHEMBL3423268)Show InChI InChI=1S/C17H23N3O2S/c1-20(2)16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,21)22/h3-10,19H,11-13H2,1-2H3,(H2,18,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50589825
(CHEMBL5193273)Show SMILES COc1cc(ccc1CNCCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50082763
(CHEMBL3423262)Show InChI InChI=1S/C16H20N2O3S/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50589826
(CHEMBL5183301) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50589827
(CHEMBL5192003) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50004997
(CHEMBL2392427)Show InChI InChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
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.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50209282
(CHEMBL3883491)Show SMILES COc1cc(OC)c(cc1OC)[C@H]1[C@@H](C(=O)N1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-19-14-21(32-3)20(31-2)13-18(19)23-22(15-7-5-4-6-8-15)24(27)26(23)16-9-11-17(12-10-16)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 25: 539-544 (2017)
Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515866
(CHEMBL4593200)Show SMILES COC(=O)CCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H22ClN3O6S/c1-31-19(27)10-11-24-21(28)17-12-18(26)25(20(17)13-2-4-14(22)5-3-13)15-6-8-16(9-7-15)32(23,29)30/h2-9,17,20H,10-12H2,1H3,(H,24,28)(H2,23,29,30)/t17-,20+/m0/s1 | 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 |
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 4
(Homo sapiens (Human)) | BDBM50515865
(CHEMBL4440330)Show SMILES CN(C)CCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H25ClN4O4S/c1-25(2)12-11-24-21(28)18-13-19(27)26(20(18)14-3-5-15(22)6-4-14)16-7-9-17(10-8-16)31(23,29)30/h3-10,18,20H,11-13H2,1-2H3,(H,24,28)(H2,23,29,30)/t18-,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | 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 4
(Homo sapiens (Human)) | BDBM50515867
(CHEMBL4475435)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCN1CCOCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H29ClN4O5S/c25-18-4-2-17(3-5-18)23-21(24(31)27-10-1-11-28-12-14-34-15-13-28)16-22(30)29(23)19-6-8-20(9-7-19)35(26,32)33/h2-9,21,23H,1,10-16H2,(H,27,31)(H2,26,32,33)/t21-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | 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 4
(Homo sapiens (Human)) | BDBM50369931
(CHEMBL4167555)Show SMILES CN1CCN(C[C@H]1Cc1ccccc1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O3S/c1-21-11-12-22(14-17(21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)26(20,24)25/h2-10,17H,11-14H2,1H3,(H2,20,24,25)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | 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 membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002
BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515559
(CHEMBL4435078)Show SMILES [#6]-c1ccc([Te;v2][#6]-[#6](-[#8])-[#6]-[#8]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C16H19NO4STe/c1-12-2-8-16(9-3-12)23-11-13(18)10-21-14-4-6-15(7-5-14)22(17,19)20/h2-9,13,18H,10-11H2,1H3,(H2,17,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | 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 4 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)) | BDBM50209290
(CHEMBL3883755)Show SMILES COc1cc(OC)c([C@H]2[C@@H](C(=O)N2c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c(OC)c1 |r| Show InChI InChI=1S/C24H24N2O6S/c1-30-17-13-19(31-2)22(20(14-17)32-3)23-21(15-7-5-4-6-8-15)24(27)26(23)16-9-11-18(12-10-16)33(25,28)29/h4-14,21,23H,1-3H3,(H2,25,28,29)/t21-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant carbonic anhydrase-4 using CO2 as substrate preincubated for 10 mins by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 25: 539-544 (2017)
Article DOI: 10.1016/j.bmc.2016.11.027
BindingDB Entry DOI: 10.7270/Q2G73GQQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515871
(CHEMBL4457120)Show SMILES CC(=O)OCCCNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C22H24ClN3O6S/c1-14(27)32-12-2-11-25-22(29)19-13-20(28)26(21(19)15-3-5-16(23)6-4-15)17-7-9-18(10-8-17)33(24,30)31/h3-10,19,21H,2,11-13H2,1H3,(H,25,29)(H2,24,30,31)/t19-,21+/m0/s1 | 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 |
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 4
(Homo sapiens (Human)) | BDBM50511590
(CHEMBL4587627)Show SMILES [#6]-c1ccccc1[Te;v2][#6]-c1ccc(cc1)S([#7])(=O)=O Show InChI InChI=1S/C14H15NO2STe/c1-11-4-2-3-5-14(11)19-10-12-6-8-13(9-7-12)18(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
| 1.80 | 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 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 4
(Homo sapiens (Human)) | BDBM50515875
(CHEMBL4469501)Show SMILES NS(=O)(=O)c1ccc(cc1)N1[C@@H]([C@H](CC1=O)C(=O)NCCCC(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H22ClN3O6S/c22-14-5-3-13(4-6-14)20-17(21(29)24-11-1-2-19(27)28)12-18(26)25(20)15-7-9-16(10-8-15)32(23,30)31/h3-10,17,20H,1-2,11-12H2,(H,24,29)(H,27,28)(H2,23,30,31)/t17-,20+/m0/s1 | 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 |
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 4
(Homo sapiens (Human)) | BDBM50511587
(CHEMBL4532721)Show SMILES [#6]-c1ccc([Te;v2][#6]-c2ccc(cc2)S([#7])(=O)=O)cc1 Show InChI InChI=1S/C14H15NO2STe/c1-11-2-8-14(9-3-11)19-10-12-4-6-13(7-5-12)18(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
| 1.90 | 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 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 4
(Homo sapiens (Human)) | BDBM50369884
(CHEMBL4172413)Show SMILES CS(=O)(=O)N1CCN([C@H](Cc2ccccc2)C1)C(=O)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H23N3O5S2/c1-28(24,25)21-11-12-22(17(14-21)13-15-5-3-2-4-6-15)19(23)16-7-9-18(10-8-16)29(20,26)27/h2-10,17H,11-14H2,1H3,(H2,20,26,27)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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 membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002
BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(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
| 2.10 | 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 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 4
(Homo sapiens (Human)) | BDBM50515845
(CHEMBL4450666)Show SMILES COc1ccc(CNC(=O)[C@H]2CC(=O)N([C@@H]2c2ccc(Cl)cc2)c2ccc(cc2)S(N)(=O)=O)cc1 |r| Show InChI InChI=1S/C25H24ClN3O5S/c1-34-20-10-2-16(3-11-20)15-28-25(31)22-14-23(30)29(24(22)17-4-6-18(26)7-5-17)19-8-12-21(13-9-19)35(27,32)33/h2-13,22,24H,14-15H2,1H3,(H,28,31)(H2,27,32,33)/t22-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | 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 4
(Homo sapiens (Human)) | BDBM50369730
(CHEMBL4164109)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)[C@H](Cc2ccccc2)C1 |r| Show InChI InChI=1S/C25H27N3O3S/c26-32(30,31)24-13-11-22(12-14-24)25(29)28-16-15-27(18-21-9-5-2-6-10-21)23(19-28)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,26,30,31)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | 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 membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002
BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50369819
(CHEMBL4163666)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CCN(C[C@H]1Cc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C26H27N3O4S/c27-34(32,33)24-13-11-22(12-14-24)26(31)29-16-15-28(25(30)18-21-9-5-2-6-10-21)19-23(29)17-20-7-3-1-4-8-20/h1-14,23H,15-19H2,(H2,27,32,33)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | 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 membrane-anchored carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by pheno... |
Eur J Med Chem 151: 363-375 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.002
BindingDB Entry DOI: 10.7270/Q25H7JTC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50515851
(CHEMBL4453623)Show SMILES COC(=O)CNC(=O)[C@H]1CC(=O)N([C@@H]1c1ccc(Cl)cc1)c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C20H20ClN3O6S/c1-30-18(26)11-23-20(27)16-10-17(25)24(19(16)12-2-4-13(21)5-3-12)14-6-8-15(9-7-14)31(22,28)29/h2-9,16,19H,10-11H2,1H3,(H,23,27)(H2,22,28,29)/t16-,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | 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 4
(Homo sapiens (Human)) | BDBM50230204
(CHEMBL4079507)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOc3ccc4oc(=O)ccc4c3)c2c1 Show InChI InChI=1S/C30H25ClN2O6/c1-18-24(17-28(34)32-13-14-38-23-9-11-27-20(15-23)5-12-29(35)39-27)25-16-22(37-2)8-10-26(25)33(18)30(36)19-3-6-21(31)7-4-19/h3-12,15-16H,13-14,17H2,1-2H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | 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 CA4 preincubated for 15 mins by stopped-flow CO2 hydration assay |
J Med Chem 60: 1159-1170 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01607
BindingDB Entry DOI: 10.7270/Q2PC34NX |
More data for this
Ligand-Target Pair | |
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