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Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'zimmermann' and Initial = 'h'   
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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50378656
PNG
(CHEMBL598619)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)CP(O)(O)=O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)


Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V
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))
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))
BDBM50237495
PNG
(CHEMBL4092504)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50368125
PNG
(ADENOSINE DIPHOSPHATE | ADP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)


Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V
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
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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))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
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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 anhydrase


(Homo sapiens (Human))
BDBM50237369
PNG
(CHEMBL4084758)
Show SMILES Cc1nc(sc1S(N)(=O)=O)N(C1CC1)C(=O)Cc1ccc(cc1)-c1ccccc1
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3.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of Dexamethasone binding to Glucocorticoid receptor


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 anhydrase


(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
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4.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]5-HT binding to Serotonin transporter in HEK cells


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 anhydrase


(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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4.90n/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
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4.90n/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 anhydrase


(Homo sapiens (Human))
BDBM50237495
PNG
(CHEMBL4092504)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O
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5.5n/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 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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5.60n/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
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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))
BDBM50237370
PNG
(CHEMBL4071722)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1F)c1nc(C)c(s1)S(N)(=O)=O
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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))
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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12n/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
3D
3D Structure (crystal)
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
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13n/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
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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))
BDBM50237361
PNG
(CHEMBL4102820)
Show SMILES CNS(=O)(=O)c1sc(nc1C)N(CCN(C)C)C(=O)Cc1ccc(cc1)-c1ccccc1
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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))
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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16n/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
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50300873
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(phenethylthio)-9H-puri...)
Show SMILES Nc1nc(SCCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H21N5O4S/c19-15-12-16(22-18(21-15)28-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(26)13(25)11(8-24)27-17/h1-5,9,11,13-14,17,24-26H,6-8H2,(H2,19,21,22)/t11-,13-,14-,17-/m1/s1
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18.5n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 mins


J Med Chem 52: 7669-77 (2009)


Article DOI: 10.1021/jm900538v
BindingDB Entry DOI: 10.7270/Q2J10379
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
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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))
BDBM50237372
PNG
(CHEMBL4089153)
Show SMILES COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(s2)S(N)(=O)=O)cc1
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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 Anhydrase VB


(Homo sapiens (Human))
BDBM50237363
PNG
(CHEMBL4100366)
Show SMILES CCc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Intracellular levels of cAMP in HEK 293 cells expressing human melanocortin 4 receptor (hMC4R)


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
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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)
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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
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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 anhydrase


(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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27n/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 anhydrase


(Homo sapiens (Human))
BDBM50237362
PNG
(CHEMBL4064934)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NCCO
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27n/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
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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 anhydrase


(Homo sapiens (Human))
BDBM50237368
PNG
(CHEMBL4062048)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cnccn1)c1nc(C)c(s1)S(N)(=O)=O
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29n/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 anhydrase V


(Homo sapiens (Human))
BDBM50237498
PNG
(CHEMBL4063105)
Show SMILES CN(C)CCN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(N)(=O)=O
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29n/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 anhydrase V


(Homo sapiens (Human))
BDBM50237367
PNG
(CHEMBL4090091)
Show SMILES CN(C(=O)Cc1ccc(cc1)-n1cccn1)c1nc(C)c(s1)S(N)(=O)=O
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32n/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 anhydrase


(Homo sapiens (Human))
BDBM50237494
PNG
(CHEMBL4092630)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NC1CC1
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32n/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
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33n/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 Anhydrase VB


(Homo sapiens (Human))
BDBM50237361
PNG
(CHEMBL4102820)
Show SMILES CNS(=O)(=O)c1sc(nc1C)N(CCN(C)C)C(=O)Cc1ccc(cc1)-c1ccccc1
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33n/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 anhydrase V


(Homo sapiens (Human))
BDBM50237373
PNG
(CHEMBL4095061)
Show SMILES CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccc1F
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33n/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 Anhydrase VB


(Homo sapiens (Human))
BDBM50237494
PNG
(CHEMBL4092630)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NC1CC1
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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))
BDBM50237367
PNG
(CHEMBL4090091)
Show SMILES CN(C(=O)Cc1ccc(cc1)-n1cccn1)c1nc(C)c(s1)S(N)(=O)=O
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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 anhydrase


(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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37n/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 anhydrase


(Homo sapiens (Human))
BDBM50237495
PNG
(CHEMBL4092504)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1cccc(F)c1)c1nc(C)c(s1)S(N)(=O)=O
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37n/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 anhydrase V


(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
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37n/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 Anhydrase VB


(Homo sapiens (Human))
BDBM50237360
PNG
(CHEMBL4084865)
Show SMILES Cl.CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
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38n/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
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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))
BDBM50237494
PNG
(CHEMBL4092630)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccc1)c1nc(C)c(s1)S(=O)(=O)NC1CC1
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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 anhydrase


(Homo sapiens (Human))
BDBM50237364
PNG
(CHEMBL4073528)
Show SMILES CN(C(=O)Cc1ccc(cc1)-c1ccccn1)c1nc(CO)c(s1)S(N)(=O)=O
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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))
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 anhydrase


(Homo sapiens (Human))
BDBM50237360
PNG
(CHEMBL4084865)
Show SMILES Cl.CNS(=O)(=O)c1sc(nc1C)N(C)C(=O)Cc1ccc(cc1)-c1ccccn1
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44n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Induced [Ca2+] influx in Vanilloid receptor subtype 1 expressing HEK 293 cells


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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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45.3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)


Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V
More data for this
Ligand-Target Pair
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