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BDBM11386 Hydroxysulfonamide 67::N-hydroxy-2,4,6-trimethylbenzene-1-sulfonamide

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)NO

InChI Key: InChIKey=RRPKGUUYTHFUPN-UHFFFAOYSA-N

Data: 8 KI

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 8 hits for monomerid = 11386   
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 2


(Homo sapiens (Human))
BDBM11386
PNG
(Hydroxysulfonamide 67 | N-hydroxy-2,4,6-trimethylb...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
Show InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3
PDB
MMDB

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Article
PubMed
62n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11386
PNG
(Hydroxysulfonamide 67 | N-hydroxy-2,4,6-trimethylb...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
Show InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3
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Article
PubMed
156n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11386
PNG
(Hydroxysulfonamide 67 | N-hydroxy-2,4,6-trimethylb...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
Show InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3
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Article
PubMed
2.10E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11386
PNG
(Hydroxysulfonamide 67 | N-hydroxy-2,4,6-trimethylb...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
Show InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3
PDB
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Article
PubMed
3.40E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11386
PNG
(Hydroxysulfonamide 67 | N-hydroxy-2,4,6-trimethylb...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
Show InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3
PDB
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Article
PubMed
3.60E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11386
PNG
(Hydroxysulfonamide 67 | N-hydroxy-2,4,6-trimethylb...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
Show InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3
PDB
MMDB

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
3.90E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM11386
PNG
(Hydroxysulfonamide 67 | N-hydroxy-2,4,6-trimethylb...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
Show InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3
PDB
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Article
PubMed
4.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11386
PNG
(Hydroxysulfonamide 67 | N-hydroxy-2,4,6-trimethylb...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
Show InChI InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(12,13)10-11/h4-5,10-11H,1-3H3
PDB
MMDB

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Article
PubMed
7.20E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair