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BDBM50073830 (4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-phenyl-butyl]-phosphinic acid::CHEMBL28389

SMILES: CNC(=O)[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C

InChI Key: InChIKey=UTSFQPTVPZNJJH-XIJSCUBXSA-N

Data: 3 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50073830   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50073830
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant matrix metalloprotease-3 (MMP-3)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50073830
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant Matrix metalloproteinase-13 (MMP-13)


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50073830
PNG
((4-Benzyl-benzyl)-[2-((R)-2,2-dimethyl-1-methylcar...)
Show SMILES CNC(=O)[C@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2)cc1)C(C)(C)C
Show InChI InChI=1S/C32H41N2O4P/c1-32(2,3)29(31(36)33-4)34-30(35)28(20-19-24-11-7-5-8-12-24)23-39(37,38)22-27-17-15-26(16-18-27)21-25-13-9-6-10-14-25/h5-18,28-29H,19-23H2,1-4H3,(H,33,36)(H,34,35)(H,37,38)/t28?,29-/m0/s1
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PubMed
n/an/a 690n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1).


Bioorg Med Chem Lett 9: 127-32 (1999)


BindingDB Entry DOI: 10.7270/Q2JD4VZ4
More data for this
Ligand-Target Pair