BindingDB logo
myBDB logout

null

SMILES: CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO

InChI Key: InChIKey=MCDVAZDSWVFMGC-OAHLLOKOSA-N

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 4 hits for monomerid = 50286351   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50286351
PNG
((R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-methyl...)
Show SMILES CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-17(23)12-20-18(24)15(11-16(22)21-25)9-5-6-10-26-13-14-7-3-2-4-8-14/h2-4,7-8,15,25H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50286351
PNG
((R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-methyl...)
Show SMILES CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-17(23)12-20-18(24)15(11-16(22)21-25)9-5-6-10-26-13-14-7-3-2-4-8-14/h2-4,7-8,15,25H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-8


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50286351
PNG
((R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-methyl...)
Show SMILES CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-17(23)12-20-18(24)15(11-16(22)21-25)9-5-6-10-26-13-14-7-3-2-4-8-14/h2-4,7-8,15,25H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50286351
PNG
((R)-2-(4-Benzyloxy-butyl)-N*4*-hydroxy-N*1*-methyl...)
Show SMILES CNC(=O)CNC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)NO
Show InChI InChI=1S/C18H27N3O5/c1-19-17(23)12-20-18(24)15(11-16(22)21-25)9-5-6-10-26-13-14-7-3-2-4-8-14/h2-4,7-8,15,25H,5-6,9-13H2,1H3,(H,19,23)(H,20,24)(H,21,22)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
5.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloproteinase-9


Bioorg Med Chem Lett 5: 349-352 (1995)


Article DOI: 10.1016/0960-894X(95)00033-P
BindingDB Entry DOI: 10.7270/Q2DR2VG9
More data for this
Ligand-Target Pair