BindingDB logo
myBDB logout

BDBM50088068 2-[1-(4-nitro-benzyl)-(sulfonyl-(4-fluorobenzene))-ureido]-N-Hydroxy-acetamide::CHEMBL300807

SMILES: ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=DMOIDCGAIGWXGJ-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 = 50088068   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50088068
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(4-fluorobenzene))...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/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)


Article DOI: 10.1021/jm990594k
BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50088068
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(4-fluorobenzene))...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm990594k
BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50088068
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(4-fluorobenzene))...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/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)


Article DOI: 10.1021/jm990594k
BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50088068
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(4-fluorobenzene))...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/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)


Article DOI: 10.1021/jm990594k
BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50088068
PNG
(2-[1-(4-nitro-benzyl)-(sulfonyl-(4-fluorobenzene))...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H15FN4O7S/c17-12-3-7-14(8-4-12)29(27,28)19-16(23)20(10-15(22)18-24)9-11-1-5-13(6-2-11)21(25)26/h1-8,24H,9-10H2,(H,18,22)(H,19,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
43n/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)


Article DOI: 10.1021/jm990594k
BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair