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BDBM50203963 CHEMBL3907881

SMILES: O=C(CC1NC(=O)NC1=O)N1CCN(CC1)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1

InChI Key: InChIKey=VWBKACQMUXNUJT-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50203963   
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))
BDBM50203963
PNG
(CHEMBL3907881)
Show SMILES O=C(CC1NC(=O)NC1=O)N1CCN(CC1)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H25N7O5/c33-20(13-19-23(35)30-25(37)28-19)32-10-8-31(9-11-32)16-5-3-4-15(12-16)14-26-24(36)21-27-18-7-2-1-6-17(18)22(34)29-21/h1-7,12,19H,8-11,13-14H2,(H,26,36)(H,27,29,34)(H2,28,30,35,37)
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n/an/a<10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50203963
PNG
(CHEMBL3907881)
Show SMILES O=C(CC1NC(=O)NC1=O)N1CCN(CC1)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H25N7O5/c33-20(13-19-23(35)30-25(37)28-19)32-10-8-31(9-11-32)16-5-3-4-15(12-16)14-26-24(36)21-27-18-7-2-1-6-17(18)22(34)29-21/h1-7,12,19H,8-11,13-14H2,(H,26,36)(H,27,29,34)(H2,28,30,35,37)
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n/an/a 0.190n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50203963
PNG
(CHEMBL3907881)
Show SMILES O=C(CC1NC(=O)NC1=O)N1CCN(CC1)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H25N7O5/c33-20(13-19-23(35)30-25(37)28-19)32-10-8-31(9-11-32)16-5-3-4-15(12-16)14-26-24(36)21-27-18-7-2-1-6-17(18)22(34)29-21/h1-7,12,19H,8-11,13-14H2,(H,26,36)(H,27,29,34)(H2,28,30,35,37)
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n/an/a<10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50203963
PNG
(CHEMBL3907881)
Show SMILES O=C(CC1NC(=O)NC1=O)N1CCN(CC1)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H25N7O5/c33-20(13-19-23(35)30-25(37)28-19)32-10-8-31(9-11-32)16-5-3-4-15(12-16)14-26-24(36)21-27-18-7-2-1-6-17(18)22(34)29-21/h1-7,12,19H,8-11,13-14H2,(H,26,36)(H,27,29,34)(H2,28,30,35,37)
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Article
PubMed
n/an/a<10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP10 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair