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BDBM50167367 (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylsulfamide::CHEMBL190447::N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aminosulfonamide::N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide

SMILES: CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1

InChI Key: InChIKey=YQWUJQMJCQBCRA-UHFFFAOYSA-N

Data: 16 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50167367   
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 XIV


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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7.10n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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8.90n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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48n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant against human recombinant carbonic anhydrase II


Bioorg Med Chem Lett 15: 3302-6 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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48n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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75n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 5b preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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81n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant against human recombinant carbonic anhydrase IX catalytic domain


Bioorg Med Chem Lett 15: 3302-6 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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81n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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84n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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87n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 5a preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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89n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length mouse carbonic anhydrase 15 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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92n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition constant against human recombinant carbonic anhydrase I


Bioorg Med Chem Lett 15: 3302-6 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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92n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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749n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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994n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length mouse carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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8.62E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 4 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50167367
PNG
((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheny...)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C12H19BN2O4S/c1-11(2)12(3,4)19-13(18-11)9-5-7-10(8-6-9)15-20(14,16)17/h5-8,15H,1-4H3,(H2,14,16,17)
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8.77E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair