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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50049248   
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))
BDBM50237495
PNG
(CHEMBL4092504)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O
PDB
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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237365
PNG
(CHEMBL4090611)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O
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0.900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237369
PNG
(CHEMBL4084758)
Show SMILES Cc1nc(sc1S(N)(=O)=O)N(C1CC1)C(=O)Cc1ccc(cc1)-c1ccccc1
PDB
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237370
PNG
(CHEMBL4071722)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1F)c1nc(C)c(s1)S(N)(=O)=O
PDB
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237361
PNG
(CHEMBL4102820)
Show SMILES CNS(=O)(=O)c1sc(nc1C)N(CCN(C)C)C(=O)Cc1ccc(cc1)-c1ccccc1
PDB
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237372
PNG
(CHEMBL4089153)
Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1
PDB
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22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237498
PNG
(CHEMBL4063105)
Show SMILES CN(C)CCN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O
PDB
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22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237360
PNG
(CHEMBL4084865)
Show SMILES Cl.CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
PDB
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
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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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237373
PNG
(CHEMBL4095061)
Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1F
PDB
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26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
PDB
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237367
PNG
(CHEMBL4090091)
Show SMILES CN(C(=O)Cc1ccc(cc1)-n1cccn1)c1nc(C)c(s1)S(N)(=O)=O
PDB
MMDB

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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237494
PNG
(CHEMBL4092630)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NC1CC1
PDB
MMDB

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41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237497
PNG
(CHEMBL4074597)
Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1
PDB
MMDB

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41n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237364
PNG
(CHEMBL4073528)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(CO)c(s1)S(N)(=O)=O
PDB
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43n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237362
PNG
(CHEMBL4064934)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NCCO
PDB
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45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237371
PNG
(CHEMBL4067954)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cc(F)ccc1F)c1nc(C)c(s1)S(N)(=O)=O
PDB
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237368
PNG
(CHEMBL4062048)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O
PDB
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69n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237366
PNG
(CHEMBL4069597)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O
PDB
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81n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237496
PNG
(CHEMBL4100256)
Show SMILES CC([O-])=O.CN(C(=O)Cc1ccc(cc1)-c1cccc[n+]1C)c1nc(C)c(s1)S(N)(=O)=O
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261n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237366
PNG
(CHEMBL4069597)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(C)c(s1)S(N)(=O)=O
PDB
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464n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




J Med Chem 60: 3154-3164 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00183
BindingDB Entry DOI: 10.7270/Q2CF9SCC
More data for this
Ligand-Target Pair