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BDBM50097254 (R)-N*1*-((S)-1-Cyclopentylcarbamoyl-2,2-dimethyl-propyl)-N*4*-hydroxy-2-(3-phenyl-propyl)-succinamide::(R)-N1-((S)-1-(cyclopentylamino)-3,3-dimethyl-1-oxobutan-2-yl)-N4-hydroxy-2-(3-phenylpropyl)succinamide::CHEMBL350231

SMILES: CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1

InChI Key: InChIKey=OFJQHDDSKOHCOJ-WIYYLYMNSA-N

Data: 4 IC50

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 = 50097254   
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))
BDBM50097254
PNG
((R)-N*1*-((S)-1-Cyclopentylcarbamoyl-2,2-dimethyl-...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)21(23(30)25-19-14-7-8-15-19)26-22(29)18(16-20(28)27-31)13-9-12-17-10-5-4-6-11-17/h4-6,10-11,18-19,21,31H,7-9,12-16H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t18-,21-/m1/s1
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PubMed
n/an/a 1.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Ability to inhibit the matrix metalloprotease-2 by method of Knight et al using the fluorogenic peptide substrate.


Bioorg Med Chem Lett 11: 567-70 (2001)


BindingDB Entry DOI: 10.7270/Q2610ZK1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097254
PNG
((R)-N*1*-((S)-1-Cyclopentylcarbamoyl-2,2-dimethyl-...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)21(23(30)25-19-14-7-8-15-19)26-22(29)18(16-20(28)27-31)13-9-12-17-10-5-4-6-11-17/h4-6,10-11,18-19,21,31H,7-9,12-16H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t18-,21-/m1/s1
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Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097254
PNG
((R)-N*1*-((S)-1-Cyclopentylcarbamoyl-2,2-dimethyl-...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)21(23(30)25-19-14-7-8-15-19)26-22(29)18(16-20(28)27-31)13-9-12-17-10-5-4-6-11-17/h4-6,10-11,18-19,21,31H,7-9,12-16H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t18-,21-/m1/s1
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Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50097254
PNG
((R)-N*1*-((S)-1-Cyclopentylcarbamoyl-2,2-dimethyl-...)
Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)21(23(30)25-19-14-7-8-15-19)26-22(29)18(16-20(28)27-31)13-9-12-17-10-5-4-6-11-17/h4-6,10-11,18-19,21,31H,7-9,12-16H2,1-3H3,(H,25,30)(H,26,29)(H,27,28)/t18-,21-/m1/s1
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PubMed
n/an/a 6.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Ability to inhibit the matrix metalloprotease-3 by method of Knight et al using the fluorogenic peptide substrate.


Bioorg Med Chem Lett 11: 567-70 (2001)


BindingDB Entry DOI: 10.7270/Q2610ZK1
More data for this
Ligand-Target Pair