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BDBM50088109 CHEMBL55521::N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-(2-methyl-benzene)-sulfonyl)ureido-benzenesulfonyl)-amino]-acetamide

SMILES: Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=MOHDKNTXJIGORP-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 = 50088109   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50088109
PNG
(CHEMBL55521 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-4-2-3-5-21(16)38(34,35)26-23(30)24-18-8-12-20(13-9-18)39(36,37)27(15-22(29)25-31)14-17-6-10-19(11-7-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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0.700n/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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50088109
PNG
(CHEMBL55521 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-4-2-3-5-21(16)38(34,35)26-23(30)24-18-8-12-20(13-9-18)39(36,37)27(15-22(29)25-31)14-17-6-10-19(11-7-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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1.5n/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))
BDBM50088109
PNG
(CHEMBL55521 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-4-2-3-5-21(16)38(34,35)26-23(30)24-18-8-12-20(13-9-18)39(36,37)27(15-22(29)25-31)14-17-6-10-19(11-7-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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1.60n/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
Collagenase


(Homo sapiens (Human))
BDBM50088109
PNG
(CHEMBL55521 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-4-2-3-5-21(16)38(34,35)26-23(30)24-18-8-12-20(13-9-18)39(36,37)27(15-22(29)25-31)14-17-6-10-19(11-7-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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PubMed
20n/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))
BDBM50088109
PNG
(CHEMBL55521 | N-Hydroxy-2-[(4-nitro-benzyl)-(4-(N-...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N5O9S2/c1-16-4-2-3-5-21(16)38(34,35)26-23(30)24-18-8-12-20(13-9-18)39(36,37)27(15-22(29)25-31)14-17-6-10-19(11-7-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
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PubMed
72n/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