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BDBM50175780 CHEMBL200435::N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)oxy]ethyl}-N'-hydroxy-N-methylurea

SMILES: CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO

InChI Key: InChIKey=GVMUNGGWXRKCEU-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50175780   
Target
(Institution)
LigandTarget
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
Stromelysin-1


(Homo sapiens (human))
BDBM50175780
PNG
(CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...)
Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP3


Bioorg Med Chem Lett 16: 20-4 (2005)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50175780
PNG
(CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...)
Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 1.20E+6n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP8


Bioorg Med Chem Lett 16: 20-4 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(homo sapiens (human))
BDBM50175780
PNG
(CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...)
Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP2


Bioorg Med Chem Lett 16: 20-4 (2005)

More data for this
Ligand-Target Pair