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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'topal' and Initial = 'm'   
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 anhydrase


(Homo sapiens (Human))
BDBM50233597
PNG
(CHEMBL4091363)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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0.540n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233548
PNG
(CHEMBL4064334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
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0.810n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233535
PNG
(CHEMBL4086787)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r|
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0.970n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233544
PNG
(CHEMBL4065358)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)cc(OC)c(OC)c1Br |r|
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0.990n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233542
PNG
(CHEMBL4070958)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1ccc(OC)c(OC)c1 |r|
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1.10n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233537
PNG
(CHEMBL4062330)
Show SMILES COc1ccc(C[C@@H]2C[C@@H]2C(O)=O)cc1OC |r|
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1.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233541
PNG
(CHEMBL4103210)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)cc1Br |r|
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1.40n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233594
PNG
(CHEMBL4060739)
Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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1.5n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233535
PNG
(CHEMBL4086787)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r|
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2.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233596
PNG
(CHEMBL4068066)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r|
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2.30n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233536
PNG
(CHEMBL4090334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1ccc(OC)c(OC)c1 |r|
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2.60n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233543
PNG
(CHEMBL4089410)
Show SMILES COc1ccc(C[C@H]2C[C@H]2CO)cc1OC |r|
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2.90n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233549
PNG
(CHEMBL4092055)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)cc1OC |r|
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2.90n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233593
PNG
(CHEMBL4069416)
Show SMILES COc1c(Br)c(Br)c(C[C@@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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3.10n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233547
PNG
(CHEMBL4095455)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)cc(OC)c(OC)c1Br |r|
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3.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233545
PNG
(CHEMBL4105642)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
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3.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233595
PNG
(CHEMBL4082617)
Show SMILES COc1cc(C[C@@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r|
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3.40n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233551
PNG
(CHEMBL4099098)
Show SMILES COc1c(Br)c(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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3.70n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233550
PNG
(CHEMBL4063516)
Show SMILES COc1cc(C[C@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r|
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3.80n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233546
PNG
(CHEMBL4087756)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)cc1Br |r|
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4.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233596
PNG
(CHEMBL4068066)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)c(Br)c1Br |r|
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4.40n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233547
PNG
(CHEMBL4095455)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)cc(OC)c(OC)c1Br |r|
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4.5n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233594
PNG
(CHEMBL4060739)
Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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4.5n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233539
PNG
(CHEMBL4068228)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
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4.80n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233551
PNG
(CHEMBL4099098)
Show SMILES COc1c(Br)c(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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4.90n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233537
PNG
(CHEMBL4062330)
Show SMILES COc1ccc(C[C@@H]2C[C@@H]2C(O)=O)cc1OC |r|
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5.80n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233598
PNG
(CHEMBL4072131)
Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
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6n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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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6n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50233541
PNG
(CHEMBL4103210)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1cc(OC)c(OC)cc1Br |r|
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6.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233536
PNG
(CHEMBL4090334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1ccc(OC)c(OC)c1 |r|
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6.30n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233550
PNG
(CHEMBL4063516)
Show SMILES COc1cc(C[C@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r|
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6.40n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233545
PNG
(CHEMBL4105642)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
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7.20n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233595
PNG
(CHEMBL4082617)
Show SMILES COc1cc(C[C@@H]2C[C@H]2C(O)=O)c(Br)c(Br)c1OC |r|
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7.30n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233548
PNG
(CHEMBL4064334)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1c(Br)c(Br)c(OC)c(OC)c1Br |r|
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7.60n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233549
PNG
(CHEMBL4092055)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)cc1OC |r|
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7.80n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233544
PNG
(CHEMBL4065358)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1c(Br)cc(OC)c(OC)c1Br |r|
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7.80n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233546
PNG
(CHEMBL4087756)
Show SMILES CCOC(=O)[C@@H]1C[C@H]1Cc1cc(OC)c(OC)cc1Br |r|
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8.30n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233540
PNG
(CHEMBL4078936)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2CO)cc1OC |r|
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8.5n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50233542
PNG
(CHEMBL4070958)
Show SMILES CCOC(=O)[C@@H]1C[C@@H]1Cc1ccc(OC)c(OC)c1 |r|
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8.60n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233597
PNG
(CHEMBL4091363)
Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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8.90n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233598
PNG
(CHEMBL4072131)
Show SMILES COc1cc(Br)c(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
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11n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233593
PNG
(CHEMBL4069416)
Show SMILES COc1c(Br)c(Br)c(C[C@@H]2C[C@H]2C(O)=O)c(Br)c1OC |r|
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12n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233540
PNG
(CHEMBL4078936)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2CO)cc1OC |r|
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16n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50233543
PNG
(CHEMBL4089410)
Show SMILES COc1ccc(C[C@H]2C[C@H]2CO)cc1OC |r|
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16n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233539
PNG
(CHEMBL4068228)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
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24n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
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)
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25n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL




J Med Chem 58: 640-50 (2015)


BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50068115
PNG
(CHEMBL3402248)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C1[C@H](C(=O)OCc2ccccc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl |r,t:30,TLB:15:14:27.29:33,THB:11:13:27.29:33,30:29:33:13.14,28:27:33:13.14|
Show InChI InChI=1/C23H17Cl6NO5S/c1-12-7-9-14(10-8-12)36(33,34)30-19(31)15-16(20(32)35-11-13-5-3-2-4-6-13)22(27)18(25)17(24)21(15,26)23(22,28)29/h2-10,15-16H,11H2,1H3,(H,30,31)/t15?,16-,21-,22-/s2
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36n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 2598-605 (2015)


Article DOI: 10.1016/j.bmc.2014.12.054
BindingDB Entry DOI: 10.7270/Q2959K7Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50068115
PNG
(CHEMBL3402248)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)C1[C@H](C(=O)OCc2ccccc2)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl |r,t:30,TLB:15:14:27.29:33,THB:11:13:27.29:33,30:29:33:13.14,28:27:33:13.14|
Show InChI InChI=1/C23H17Cl6NO5S/c1-12-7-9-14(10-8-12)36(33,34)30-19(31)15-16(20(32)35-11-13-5-3-2-4-6-13)22(27)18(25)17(24)21(15,26)23(22,28)29/h2-10,15-16H,11H2,1H3,(H,30,31)/t15?,16-,21-,22-/s2
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48n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 2598-605 (2015)


Article DOI: 10.1016/j.bmc.2014.12.054
BindingDB Entry DOI: 10.7270/Q2959K7Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50068120
PNG
(CHEMBL3402253)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14|
Show InChI InChI=1/C16H13Cl6NO7S/c1-6-2-4-7(5-3-6)31(29,30)23-10(24)8-9(11(25)26)13(18)14(19,20)12(8,17)15(21,27)16(13,22)28/h2-5,8-9,27-28H,1H3,(H,23,24)(H,25,26)/t8-,9+,12-,13-,15-,16-/s2
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52n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 2598-605 (2015)


Article DOI: 10.1016/j.bmc.2014.12.054
BindingDB Entry DOI: 10.7270/Q2959K7Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50068120
PNG
(CHEMBL3402253)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)[C@@H]1[C@H](C(O)=O)[C@@]2(Cl)[C@@](O)(Cl)[C@](O)(Cl)[C@@]1(Cl)C2(Cl)Cl |r,TLB:15:14:20.23:28,21:20:28:13.14,THB:11:13:20.23:28,24:23:28:13.14|
Show InChI InChI=1/C16H13Cl6NO7S/c1-6-2-4-7(5-3-6)31(29,30)23-10(24)8-9(11(25)26)13(18)14(19,20)12(8,17)15(21,27)16(13,22)28/h2-5,8-9,27-28H,1H3,(H,23,24)(H,25,26)/t8-,9+,12-,13-,15-,16-/s2
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58n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 using p-nitro-phenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 23: 2598-605 (2015)


Article DOI: 10.1016/j.bmc.2014.12.054
BindingDB Entry DOI: 10.7270/Q2959K7Q
More data for this
Ligand-Target Pair
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