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BDBM50097238 (R)-N*4*-Hydroxy-N*1*-[(S)-1-((R)-2-methoxy-1-phenyl-ethylcarbamoyl)-2,2-dimethyl-propyl]-2-(3-phenyl-propyl)-succinamide::(R)-N4-hydroxy-N1-((S)-1-((R)-2-methoxy-1-phenylethylamino)-3,3-dimethyl-1-oxobutan-2-yl)-2-(3-phenylpropyl)succinamide::CHEMBL152531

SMILES: COC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1

InChI Key: InChIKey=LYTGQQFBDSMLSD-GIFXNVAJSA-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 = 50097238   
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))
BDBM50097238
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((R)-2-methoxy-1-phen...)
Show SMILES COC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C28H39N3O5/c1-28(2,3)25(27(34)29-23(19-36-4)21-15-9-6-10-16-21)30-26(33)22(18-24(32)31-35)17-11-14-20-12-7-5-8-13-20/h5-10,12-13,15-16,22-23,25,35H,11,14,17-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,32)/t22-,23+,25-/m1/s1
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n/an/a 15n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50097238
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((R)-2-methoxy-1-phen...)
Show SMILES COC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C28H39N3O5/c1-28(2,3)25(27(34)29-23(19-36-4)21-15-9-6-10-16-21)30-26(33)22(18-24(32)31-35)17-11-14-20-12-7-5-8-13-20/h5-10,12-13,15-16,22-23,25,35H,11,14,17-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,32)/t22-,23+,25-/m1/s1
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Article
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n/an/a 22n/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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50097238
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((R)-2-methoxy-1-phen...)
Show SMILES COC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C28H39N3O5/c1-28(2,3)25(27(34)29-23(19-36-4)21-15-9-6-10-16-21)30-26(33)22(18-24(32)31-35)17-11-14-20-12-7-5-8-13-20/h5-10,12-13,15-16,22-23,25,35H,11,14,17-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,32)/t22-,23+,25-/m1/s1
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Article
PubMed
n/an/a 15n/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))
BDBM50097238
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-((R)-2-methoxy-1-phen...)
Show SMILES COC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C28H39N3O5/c1-28(2,3)25(27(34)29-23(19-36-4)21-15-9-6-10-16-21)30-26(33)22(18-24(32)31-35)17-11-14-20-12-7-5-8-13-20/h5-10,12-13,15-16,22-23,25,35H,11,14,17-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,32)/t22-,23+,25-/m1/s1
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Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 22n/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