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BDBM50069220 (2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-2-methyl-3-phenethyl-succinamide::CHEMBL167278

SMILES: CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@@](C)(O)C(=O)NO

InChI Key: InChIKey=OSDJVSPJKNBXKV-MZLICYQSSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50069220   
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
Collagenase


(Homo sapiens (Human))
BDBM50069220
PNG
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C24H31N3O6/c1-24(31,23(30)27-32)19(14-11-16-7-5-4-6-8-16)21(28)26-20(22(29)25-2)15-17-9-12-18(33-3)13-10-17/h4-10,12-13,19-20,31-32H,11,14-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,24+/m0/s1
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2n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloproteinase-9


Bioorg Med Chem Lett 8: 837-42 (1999)


BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50069220
PNG
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C24H31N3O6/c1-24(31,23(30)27-32)19(14-11-16-7-5-4-6-8-16)21(28)26-20(22(29)25-2)15-17-9-12-18(33-3)13-10-17/h4-10,12-13,19-20,31-32H,11,14-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,24+/m0/s1
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25n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity against human matrix metalloproteinase-3.


Bioorg Med Chem Lett 8: 837-42 (1999)


BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50069220
PNG
((2R,3R)-2,N*1*-Dihydroxy-N*4*-[(S)-2-(4-methoxy-ph...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCc1ccccc1)[C@@](C)(O)C(=O)NO
Show InChI InChI=1S/C24H31N3O6/c1-24(31,23(30)27-32)19(14-11-16-7-5-4-6-8-16)21(28)26-20(22(29)25-2)15-17-9-12-18(33-3)13-10-17/h4-10,12-13,19-20,31-32H,11,14-15H2,1-3H3,(H,25,29)(H,26,28)(H,27,30)/t19-,20-,24+/m0/s1
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33n/an/an/an/an/an/an/an/a



DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Binding affinity was evaluated against matrix metalloproteinase-1


Bioorg Med Chem Lett 8: 837-42 (1999)


BindingDB Entry DOI: 10.7270/Q29022WN
More data for this
Ligand-Target Pair