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Compile Data Set for Download or QSAR

Found 40 hits from Bharati Vidyapeeth's College of Pharmacy   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054653
PNG
(CHEMBL3323211)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)
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0.590n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054648
PNG
(CHEMBL3323207)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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0.630n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054646
PNG
(CHEMBL3323209)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-10-2-6-13(7-3-10)25(22,23)18-17-14(19)16-11-4-8-12(9-5-11)24(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
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0.650n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054652
PNG
(CHEMBL3323212)
Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
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0.660n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054650
PNG
(CHEMBL3323205)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)
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0.680n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054651
PNG
(CHEMBL3323213)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)
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0.710n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054649
PNG
(CHEMBL3323206)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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0.720n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054647
PNG
(CHEMBL3323208)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H13BrN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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0.790n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50054658
PNG
(CHEMBL3323210)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)
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0.790n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054648
PNG
(CHEMBL3323207)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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3.5n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054651
PNG
(CHEMBL3323213)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)
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3.60n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054652
PNG
(CHEMBL3323212)
Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
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3.80n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054647
PNG
(CHEMBL3323208)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H13BrN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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3.90n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054650
PNG
(CHEMBL3323205)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)
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4.30n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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5.80n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054658
PNG
(CHEMBL3323210)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)
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6n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054646
PNG
(CHEMBL3323209)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-10-2-6-13(7-3-10)25(22,23)18-17-14(19)16-11-4-8-12(9-5-11)24(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
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6.10n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
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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12n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054649
PNG
(CHEMBL3323206)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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14n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054658
PNG
(CHEMBL3323210)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)
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21n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054648
PNG
(CHEMBL3323207)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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23n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054646
PNG
(CHEMBL3323209)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-10-2-6-13(7-3-10)25(22,23)18-17-14(19)16-11-4-8-12(9-5-11)24(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
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24n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054649
PNG
(CHEMBL3323206)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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25n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054647
PNG
(CHEMBL3323208)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H13BrN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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30n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054653
PNG
(CHEMBL3323211)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)
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39n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054648
PNG
(CHEMBL3323207)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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40n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054650
PNG
(CHEMBL3323205)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)
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41n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054651
PNG
(CHEMBL3323213)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)
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41n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054652
PNG
(CHEMBL3323212)
Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
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47n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054646
PNG
(CHEMBL3323209)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O5S2/c1-10-2-6-13(7-3-10)25(22,23)18-17-14(19)16-11-4-8-12(9-5-11)24(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
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48n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054658
PNG
(CHEMBL3323210)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H13N5O7S2/c14-26(22,23)11-5-1-9(2-6-11)15-13(19)16-17-27(24,25)12-7-3-10(4-8-12)18(20)21/h1-8,17H,(H2,14,22,23)(H2,15,16,19)
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49n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054647
PNG
(CHEMBL3323208)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C13H13BrN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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49n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054653
PNG
(CHEMBL3323211)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)
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53n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50054653
PNG
(CHEMBL3323211)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12ClN5O7S2/c14-11-6-5-10(7-12(11)19(21)22)28(25,26)18-17-13(20)16-8-1-3-9(4-2-8)27(15,23)24/h1-7,18H,(H2,15,23,24)(H2,16,17,20)
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72n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054650
PNG
(CHEMBL3323205)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C13H14N4O5S2/c14-23(19,20)11-8-6-10(7-9-11)15-13(18)16-17-24(21,22)12-4-2-1-3-5-12/h1-9,17H,(H2,14,19,20)(H2,15,16,18)
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74n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054652
PNG
(CHEMBL3323212)
Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)
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80n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50054651
PNG
(CHEMBL3323213)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H17N5O6S2/c1-10(21)17-11-4-8-14(9-5-11)28(25,26)20-19-15(22)18-12-2-6-13(7-3-12)27(16,23)24/h2-9,20H,1H3,(H,17,21)(H2,16,23,24)(H2,18,19,22)
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81n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50054649
PNG
(CHEMBL3323206)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C13H13FN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
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82n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
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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250n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth's College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


ACS Med Chem Lett 5: 793-6 (2014)


Article DOI: 10.1021/ml500140t
BindingDB Entry DOI: 10.7270/Q2RR20WF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)