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BDBM50129994 2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)carbamoyl)-4-phenylbutyl(4-(2-methoxybenzyl)benzyl)phosphinic acid::CHEMBL77995::[2-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-4-phenyl-butyl]-[4-(2-methoxy-benzyl)-benzyl]-phosphinic acid

SMILES: CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C

InChI Key: InChIKey=WFQFQAQNCYHBTC-FUJFQHJFSA-N

Data: 7 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 7 hits for monomerid = 50129994   
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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50129994
PNG
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C
Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-12


Bioorg Med Chem Lett 13: 2331-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00413-x
BindingDB Entry DOI: 10.7270/Q2571CJP
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50129994
PNG
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C
Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1


Bioorg Med Chem Lett 13: 2331-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00413-x
BindingDB Entry DOI: 10.7270/Q2571CJP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50129994
PNG
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C
Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13


Bioorg Med Chem Lett 13: 2331-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00413-x
BindingDB Entry DOI: 10.7270/Q2571CJP
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50129994
PNG
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C
Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP12


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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50129994
PNG
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C
Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


Bioorg Med Chem Lett 13: 2331-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00413-x
BindingDB Entry DOI: 10.7270/Q2571CJP
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50129994
PNG
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C
Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Bioorg Med Chem Lett 13: 2331-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00413-x
BindingDB Entry DOI: 10.7270/Q2571CJP
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50129994
PNG
(2-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-...)
Show SMILES CNC(=O)[C@@H](NC(=O)C(CCc1ccccc1)CP(O)(=O)Cc1ccc(Cc2ccccc2OC)cc1)C(C)(C)C
Show InChI InChI=1S/C33H43N2O5P/c1-33(2,3)30(32(37)34-4)35-31(36)28(20-19-24-11-7-6-8-12-24)23-41(38,39)22-26-17-15-25(16-18-26)21-27-13-9-10-14-29(27)40-5/h6-18,28,30H,19-23H2,1-5H3,(H,34,37)(H,35,36)(H,38,39)/t28?,30-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3


Bioorg Med Chem Lett 13: 2331-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00413-x
BindingDB Entry DOI: 10.7270/Q2571CJP
More data for this
Ligand-Target Pair