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BDBM50088107 CHEMBL293357::N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-(4-Fluorobenzene)-sulfonyl)ureido-benzenesulfonyl)-amino]-acetamide

SMILES: ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=DYSNZNGQZPYHHP-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50088107   
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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088107
PNG
(CHEMBL293357 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H20FN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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0.5n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease-8


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50088107
PNG
(CHEMBL293357 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H20FN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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0.600n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease 2 (MMP-2)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50088107
PNG
(CHEMBL293357 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H20FN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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1.20n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix metalloprotease-9


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50088107
PNG
(CHEMBL293357 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H20FN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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18n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Clostridium histolyticum collagenase (ChC)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50088107
PNG
(CHEMBL293357 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H20FN5O9S2/c23-16-3-9-19(10-4-16)38(34,35)26-22(30)24-17-5-11-20(12-6-17)39(36,37)27(14-21(29)25-31)13-15-1-7-18(8-2-15)28(32)33/h1-12,31H,13-14H2,(H,25,29)(H2,24,26,30)
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PubMed
54n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix Metalloprotease 1 (MMP-1)


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair