Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50044824 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 5B, mitochondrial
(Homo sapiens (Human)) | BDBM50031588
(CHEMBL3359181)Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(=O)(=O)CCO Show InChI InChI=1S/C16H23F3N2O5S2/c17-11-12(18)16(27(23,24)9-8-22)14(13(19)15(11)28(20,25)26)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,25,26) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 5B at pH7 and 37 degC by fluorescent thermal shift assay |
J Med Chem 57: 9435-46 (2014)
Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human)) | BDBM50429899
(CHEMBL2333416)Show InChI InChI=1S/C8H7F4NO3S2/c9-3-5(11)8(18(13,15)16)6(12)4(10)7(3)17-2-1-14/h14H,1-2H2,(H2,13,15,16) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 5B at pH7 and 37 degC by fluorescent thermal shift assay |
J Med Chem 57: 9435-46 (2014)
Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 5B, mitochondrial
(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) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 5B at pH7 and 37 degC by fluorescent thermal shift assay |
J Med Chem 57: 9435-46 (2014)
Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human)) | BDBM50031587
(CHEMBL3359180)Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCc2ccccc2)c(F)c1NC1CCCCCCCCCCC1 Show InChI InChI=1S/C26H35F3N2O2S2/c27-21-22(28)26(35(30,32)33)24(23(29)25(21)34-18-17-19-13-9-8-10-14-19)31-20-15-11-6-4-2-1-3-5-7-12-16-20/h8-10,13-14,20,31H,1-7,11-12,15-18H2,(H2,30,32,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 5B at pH7 and 37 degC by fluorescent thermal shift assay |
J Med Chem 57: 9435-46 (2014)
Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human)) | BDBM50429900
(CHEMBL2333417)Show InChI InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 5B at pH7 and 37 degC by fluorescent thermal shift assay |
J Med Chem 57: 9435-46 (2014)
Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 5B, mitochondrial
(Homo sapiens (Human)) | BDBM50031589
(CHEMBL3359179)Show SMILES NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC1CCCCCCC1 Show InChI InChI=1S/C16H23F3N2O3S2/c17-11-12(18)16(26(20,23)24)14(13(19)15(11)25-9-8-22)21-10-6-4-2-1-3-5-7-10/h10,21-22H,1-9H2,(H2,20,23,24) | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a |
Vilnius University
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 5B at pH7 and 37 degC by fluorescent thermal shift assay |
J Med Chem 57: 9435-46 (2014)
Article DOI: 10.1021/jm501003k
BindingDB Entry DOI: 10.7270/Q280547S |
More data for this
Ligand-Target Pair | |
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