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Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'tiwari' 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 anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237192
PNG
(CHEMBL4072947)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(F)cc2)cc1
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0.690n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237179
PNG
(CHEMBL4097153)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1
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0.740n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of acetylcholinesterase


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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2.10 -49.5n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
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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2.5n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(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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2.5 -49.1n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237184
PNG
(CHEMBL4070147)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)cc1
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2.60n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cells


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237179
PNG
(CHEMBL4097153)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1
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3.60n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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3.80n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237171
PNG
(CHEMBL4083316)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
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4n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237173
PNG
(CHEMBL4081575)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(=O)OCc2ccccc2)cc1
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4.30n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237172
PNG
(CHEMBL4080804)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1
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4.40n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237183
PNG
(CHEMBL1518113)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
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4.90n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237197
PNG
(CHEMBL4080884)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1
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5.20n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
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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5.70n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to Serotonin transporter of rat caudate membranes


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237175
PNG
(CHEMBL4098919)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
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6.10n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237191
PNG
(CHEMBL4099828)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccccc2)cc1
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6.20n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237183
PNG
(CHEMBL1518113)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
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6.5n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50237179
PNG
(CHEMBL4097153)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1
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6.80n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237177
PNG
(CHEMBL4102291)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ncccn2)cc1
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7.90n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
In vitro binding to Tachykinin receptor 2


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237176
PNG
(CHEMBL4084329)
Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
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7.90n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50237172
PNG
(CHEMBL4080804)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1
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8.60n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237170
PNG
(CHEMBL4059623)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
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8.70n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237174
PNG
(CHEMBL4074004)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(Cl)cc2)cc1
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8.80n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50237194
PNG
(CHEMBL4091108)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
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8.90n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237193
PNG
(CHEMBL4089446)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
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9.10n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237184
PNG
(CHEMBL4070147)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)cc1
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9.30n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237181
PNG
(CHEMBL4086993)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2)cc1
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9.40n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237172
PNG
(CHEMBL4080804)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1
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11n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
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



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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12 -45.2n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237180
PNG
(CHEMBL1363627)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1
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12n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Concentration required for the inhibition of acetylcholinesterase


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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14 -44.8n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237185
PNG
(CHEMBL4061487)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
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17n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50025093
PNG
(4-Chloro-benzenesulfonamide | CHEMBL804 | P-Chloro...)
Show SMILES NS(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
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17.5 -44.3n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237180
PNG
(CHEMBL1363627)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1
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21n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237196
PNG
(CHEMBL4104861)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1
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22n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237178
PNG
(CHEMBL4068266)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CCNC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
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26n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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26.5 -43.2n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237195
PNG
(CHEMBL4094688)
Show SMILES Cc1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)CC1
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27n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237181
PNG
(CHEMBL4086993)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Br)cc2)cc1
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29n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM33269
PNG
(CHEMBL277836 | azo-sulfonamide, 1d | cid_75522 | p...)
Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3,(H2,15,19,20)/b17-16+
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30 -42.9n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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35 -42.6n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237171
PNG
(CHEMBL4083316)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
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36n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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38 -42.4n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237194
PNG
(CHEMBL4091108)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
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43n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL




J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM33266
PNG
(CHEMBL379206 | azo-sulfonamide, 1a | p-Phenyldiaze...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10|
Show InChI InChI=1S/C12H11N3O3S/c13-19(17,18)12-7-3-10(4-8-12)15-14-9-1-5-11(16)6-2-9/h1-8,16H,(H2,13,17,18)
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46 -41.9n/an/an/an/an/a7.425



Universita degli Studi di Firenze



Assay Description
Carbonic anhydrase (CA) inhibition against hCA II and V11 with synthesized compounds 2-8.


Chem Biol Drug Des 74: 196-202 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00842.x
BindingDB Entry DOI: 10.7270/Q2G44NS1
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50237182
PNG
(CHEMBL4067239)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1
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48n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50237180
PNG
(CHEMBL1363627)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1
PDB
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50n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
More data for this
Ligand-Target Pair
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