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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50000542   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
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)
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PC cid
PC sid
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PDB
Article
PubMed
11n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252998
PNG
(CHEMBL4105008)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.150n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252992
PNG
(CHEMBL4100496)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252993
PNG
(CHEMBL4073678)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252996
PNG
(CHEMBL4097972)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.390n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252995
PNG
(CHEMBL4075535)
PDB
MMDB

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PC sid
UniChem
Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50253004
PNG
(CHEMBL4072122)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.470n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50252991
PNG
(CHEMBL4064130)
PDB
MMDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.530n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
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
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CHEMBL
DrugBank
KEGG
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PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey. Electronic address: mdaltintop@anadolu.edu.tr.

Curated by ChEMBL




Bioorg Med Chem 25: 3547-3554 (2017)


Article DOI: 10.1016/j.bmc.2017.05.005
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)