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2 similar compounds to monomer 50054648

Compile data set for download or QSAR
Wt: 370.4
BDBM50054650
Wt: 427.4
BDBM50054651

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50054650,50054651   
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))
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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PubMed
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 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))
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 1


(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 1


(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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PubMed
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 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))
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)
PDB
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PubMed
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