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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'tümer' and Initial = 'f'   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161477
PNG
(CHEMBL3785269)
Show SMILES COc1cccc2CC(CCc12)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)13-14-23-18-10-6-9-17-16(18)11-12-20(17)24(21,22)15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3
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0.450n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161487
PNG
(CHEMBL3786516)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C
Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2
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0.670n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161485
PNG
(CHEMBL3786719)
Show SMILES CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C21H24N2O4S/c24-28(25,18-5-2-1-3-6-18)23-13-9-19-20(23)7-4-8-21(19)27-16-12-22-17-10-14-26-15-11-17/h1-9,13,17,22H,10-12,14-16H2
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0.720n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161479
PNG
(CHEMBL3786448)
Show SMILES COc1ccc2CCC(Cc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2
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0.830n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161491
PNG
(CHEMBL3786651)
Show SMILES COc1cccc2C[C@H](CCc12)NC(=O)N(C)C |r|
Show InChI InChI=1/C14H20N2O2/c1-16(2)14(17)15-11-7-8-12-10(9-11)5-4-6-13(12)18-3/h4-6,11H,7-9H2,1-3H3,(H,15,17)/t11-/s2
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0.980n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161478
PNG
(CHEMBL3787223)
Show SMILES COc1ccc2CC(CCc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N2O3S/c25-28(26,19-9-4-3-5-10-19)24-16-13-20-21(24)11-8-12-22(20)27-18-17-23-14-6-1-2-7-15-23/h3-5,8-13,16H,1-2,6-7,14-15,17-18H2
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1.10n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161486
PNG
(CHEMBL3787502)
Show SMILES COc1ccc2CC[C@@H](Cc2c1)NC(=O)N(C)C |r|
Show InChI InChI=1S/C19H22N2O3S/c1-15(2)20-12-14-24-19-10-6-9-18-17(19)11-13-21(18)25(22,23)16-7-4-3-5-8-16/h3-11,13,15,20H,12,14H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161484
PNG
(CHEMBL3786442)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-10-8-12(15)6-4-9(10)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3/t11-/s2
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1.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM26190
PNG
(1,4-Dihydroxybenzene, XIII | 1,4-dihydroxybenzene ...)
Show SMILES Oc1ccc(O)cc1
Show InChI InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
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1.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161481
PNG
(CHEMBL3785391)
Show SMILES CN(C)C(=O)NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
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1.30n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161483
PNG
(CHEMBL3786873)
Show SMILES CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C20H22N2O3S/c23-26(24,17-7-2-1-3-8-17)22-14-11-18-19(22)9-6-10-20(18)25-16-15-21-12-4-5-13-21/h1-3,6-11,14H,4-5,12-13,15-16H2
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1.30n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161480
PNG
(CHEMBL3786937)
Show SMILES CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H24N2O4S/c1-29-21-7-5-6-19(16-21)18-25-13-15-30-22-11-10-20-12-14-26(24(20)17-22)31(27,28)23-8-3-2-4-9-23/h2-12,14,16-17,25H,13,15,18H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161477
PNG
(CHEMBL3785269)
Show SMILES COc1cccc2CC(CCc12)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)13-14-23-18-10-6-9-17-16(18)11-12-20(17)24(21,22)15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161482
PNG
(CHEMBL3785207)
Show SMILES CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C18H20N2O3S/c1-2-19-12-14-23-18-10-6-9-17-16(18)11-13-20(17)24(21,22)15-7-4-3-5-8-15/h3-11,13,19H,2,12,14H2,1H3
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1.70n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161485
PNG
(CHEMBL3786719)
Show SMILES CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C21H24N2O4S/c24-28(25,18-5-2-1-3-6-18)23-13-9-19-20(23)7-4-8-21(19)27-16-12-22-17-10-14-26-15-11-17/h1-9,13,17,22H,10-12,14-16H2
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1.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161479
PNG
(CHEMBL3786448)
Show SMILES COc1ccc2CCC(Cc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2
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1.90n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161486
PNG
(CHEMBL3787502)
Show SMILES COc1ccc2CC[C@@H](Cc2c1)NC(=O)N(C)C |r|
Show InChI InChI=1S/C19H22N2O3S/c1-15(2)20-12-14-24-19-10-6-9-18-17(19)11-13-21(18)25(22,23)16-7-4-3-5-8-16/h3-11,13,15,20H,12,14H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161478
PNG
(CHEMBL3787223)
Show SMILES COc1ccc2CC(CCc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N2O3S/c25-28(26,19-9-4-3-5-10-19)24-16-13-20-21(24)11-8-12-22(20)27-18-17-23-14-6-1-2-7-15-23/h3-5,8-13,16H,1-2,6-7,14-15,17-18H2
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2n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161487
PNG
(CHEMBL3786516)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C
Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2
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2.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161484
PNG
(CHEMBL3786442)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-10-8-12(15)6-4-9(10)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3/t11-/s2
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2.30n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161483
PNG
(CHEMBL3786873)
Show SMILES CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C20H22N2O3S/c23-26(24,17-7-2-1-3-8-17)22-14-11-18-19(22)9-6-10-20(18)25-16-15-21-12-4-5-13-21/h1-3,6-11,14H,4-5,12-13,15-16H2
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2.40n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161483
PNG
(CHEMBL3786873)
Show SMILES CN(C)S(=O)(=O)NC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C20H22N2O3S/c23-26(24,17-7-2-1-3-8-17)22-14-11-18-19(22)9-6-10-20(18)25-16-15-21-12-4-5-13-21/h1-3,6-11,14H,4-5,12-13,15-16H2
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2.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161481
PNG
(CHEMBL3785391)
Show SMILES CN(C)C(=O)NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
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2.70n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161491
PNG
(CHEMBL3786651)
Show SMILES COc1cccc2C[C@H](CCc12)NC(=O)N(C)C |r|
Show InChI InChI=1/C14H20N2O2/c1-16(2)14(17)15-11-7-8-12-10(9-11)5-4-6-13(12)18-3/h4-6,11H,7-9H2,1-3H3,(H,15,17)/t11-/s2
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2.70n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161478
PNG
(CHEMBL3787223)
Show SMILES COc1ccc2CC(CCc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N2O3S/c25-28(26,19-9-4-3-5-10-19)24-16-13-20-21(24)11-8-12-22(20)27-18-17-23-14-6-1-2-7-15-23/h3-5,8-13,16H,1-2,6-7,14-15,17-18H2
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2.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161482
PNG
(CHEMBL3785207)
Show SMILES CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C18H20N2O3S/c1-2-19-12-14-23-18-10-6-9-17-16(18)11-13-20(17)24(21,22)15-7-4-3-5-8-15/h3-11,13,19H,2,12,14H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161477
PNG
(CHEMBL3785269)
Show SMILES COc1cccc2CC(CCc12)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C18H20N2O3S/c1-19(2)13-14-23-18-10-6-9-17-16(18)11-12-20(17)24(21,22)15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161480
PNG
(CHEMBL3786937)
Show SMILES CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H24N2O4S/c1-29-21-7-5-6-19(16-21)18-25-13-15-30-22-11-10-20-12-14-26(24(20)17-22)31(27,28)23-8-3-2-4-9-23/h2-12,14,16-17,25H,13,15,18H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161479
PNG
(CHEMBL3786448)
Show SMILES COc1ccc2CCC(Cc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2
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3n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161485
PNG
(CHEMBL3786719)
Show SMILES CN(C)S(=O)(=O)NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C21H24N2O4S/c24-28(25,18-5-2-1-3-6-18)23-13-9-19-20(23)7-4-8-21(19)27-16-12-22-17-10-14-26-15-11-17/h1-9,13,17,22H,10-12,14-16H2
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3n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161487
PNG
(CHEMBL3786516)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C
Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2
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3.10n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161484
PNG
(CHEMBL3786442)
Show SMILES CN(C)S(=O)(=O)N[C@H]1CCc2cc(O)ccc2C1 |r|
Show InChI InChI=1/C12H18N2O3S/c1-14(2)18(16,17)13-11-5-3-10-8-12(15)6-4-9(10)7-11/h4,6,8,11,13,15H,3,5,7H2,1-2H3/t11-/s2
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3.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161486
PNG
(CHEMBL3787502)
Show SMILES COc1ccc2CC[C@@H](Cc2c1)NC(=O)N(C)C |r|
Show InChI InChI=1S/C19H22N2O3S/c1-15(2)20-12-14-24-19-10-6-9-18-17(19)11-13-21(18)25(22,23)16-7-4-3-5-8-16/h3-11,13,15,20H,12,14H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161482
PNG
(CHEMBL3785207)
Show SMILES CN(C)C(=O)N[C@H]1CCc2ccc(O)cc2C1 |r|
Show InChI InChI=1S/C18H20N2O3S/c1-2-19-12-14-23-18-10-6-9-17-16(18)11-13-20(17)24(21,22)15-7-4-3-5-8-15/h3-11,13,19H,2,12,14H2,1H3
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3.40n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161481
PNG
(CHEMBL3785391)
Show SMILES CN(C)C(=O)NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
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3.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161480
PNG
(CHEMBL3786937)
Show SMILES CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H24N2O4S/c1-29-21-7-5-6-19(16-21)18-25-13-15-30-22-11-10-20-12-14-26(24(20)17-22)31(27,28)23-8-3-2-4-9-23/h2-12,14,16-17,25H,13,15,18H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161491
PNG
(CHEMBL3786651)
Show SMILES COc1cccc2C[C@H](CCc12)NC(=O)N(C)C |r|
Show InChI InChI=1/C14H20N2O2/c1-16(2)14(17)15-11-7-8-12-10(9-11)5-4-6-13(12)18-3/h4-6,11H,7-9H2,1-3H3,(H,15,17)/t11-/s2
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3.70n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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7.60n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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33n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(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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204n/an/an/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50161481
PNG
(CHEMBL3785391)
Show SMILES CN(C)C(=O)NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
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n/an/a 7.20n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 7.5n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161486
PNG
(CHEMBL3787502)
Show SMILES COc1ccc2CC[C@@H](Cc2c1)NC(=O)N(C)C |r|
Show InChI InChI=1S/C19H22N2O3S/c1-15(2)20-12-14-24-19-10-6-9-18-17(19)11-13-21(18)25(22,23)16-7-4-3-5-8-16/h3-11,13,15,20H,12,14H2,1-2H3
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n/an/a 7.70n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161491
PNG
(CHEMBL3786651)
Show SMILES COc1cccc2C[C@H](CCc12)NC(=O)N(C)C |r|
Show InChI InChI=1/C14H20N2O2/c1-16(2)14(17)15-11-7-8-12-10(9-11)5-4-6-13(12)18-3/h4-6,11H,7-9H2,1-3H3,(H,15,17)/t11-/s2
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n/an/a 8.20n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161487
PNG
(CHEMBL3786516)
Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C
Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2
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n/an/a 8.20n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161478
PNG
(CHEMBL3787223)
Show SMILES COc1ccc2CC(CCc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N2O3S/c25-28(26,19-9-4-3-5-10-19)24-16-13-20-21(24)11-8-12-22(20)27-18-17-23-14-6-1-2-7-15-23/h3-5,8-13,16H,1-2,6-7,14-15,17-18H2
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n/an/a 8.30n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161479
PNG
(CHEMBL3786448)
Show SMILES COc1ccc2CCC(Cc2c1)NS(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2
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n/an/a 8.70n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50161486
PNG
(CHEMBL3787502)
Show SMILES COc1ccc2CC[C@@H](Cc2c1)NC(=O)N(C)C |r|
Show InChI InChI=1S/C19H22N2O3S/c1-15(2)20-12-14-24-19-10-6-9-18-17(19)11-13-21(18)25(22,23)16-7-4-3-5-8-16/h3-11,13,15,20H,12,14H2,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161481
PNG
(CHEMBL3785391)
Show SMILES CN(C)C(=O)NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C21H24N2O3S/c24-27(25,18-8-3-1-4-9-18)23-15-12-19-20(23)10-7-11-21(19)26-17-16-22-13-5-2-6-14-22/h1,3-4,7-12,15H,2,5-6,13-14,16-17H2
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n/an/a 9.60n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50161480
PNG
(CHEMBL3786937)
Show SMILES CN(C)C(=O)N[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C24H24N2O4S/c1-29-21-7-5-6-19(16-21)18-25-13-15-30-22-11-10-20-12-14-26(24(20)17-22)31(27,28)23-8-3-2-4-9-23/h2-12,14,16-17,25H,13,15,18H2,1H3
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n/an/a 9.70n/an/an/an/an/an/a



Erzurum Technical University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by spectrophotometric analysis


Bioorg Med Chem 24: 2318-29 (2016)


BindingDB Entry DOI: 10.7270/Q2930W3J
More data for this
Ligand-Target Pair
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