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BDBM50198035 CHEMBL227501::[(R)-2-methyl-1-(3'-methyl-biphenyl-4-sulfonylamino)-propyl]-phosphonic acid

SMILES: CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O

InChI Key: InChIKey=WNLZTTHHHYZJMB-QGZVFWFLSA-N

Data: 8 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 8 hits for monomerid = 50198035   
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-9


(Homo sapiens (Human))
BDBM50198035
PNG
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O
Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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PubMed
n/an/a 64n/an/an/an/an/an/a



Università "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 expressed in mouse myeloma cells


Bioorg Med Chem 15: 791-9 (2006)


Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50198035
PNG
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O
Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Università "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem 15: 791-9 (2006)


Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50198035
PNG
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O
Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Università "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem 15: 791-9 (2006)


Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50198035
PNG
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O
Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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n/an/a 24n/an/an/an/an/an/a



Università "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 expressed in mouse myeloma cells


Bioorg Med Chem 15: 791-9 (2006)


Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50198035
PNG
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O
Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Università "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem 15: 791-9 (2006)


Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50198035
PNG
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O
Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Università "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 15: 791-9 (2006)


Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50198035
PNG
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O
Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Università "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MMP8


Bioorg Med Chem 15: 791-9 (2006)


Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (Human))
BDBM50198035
PNG
(CHEMBL227501 | [(R)-2-methyl-1-(3'-methyl-biphenyl...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(C)c1)P(O)(O)=O
Show InChI InChI=1S/C17H22NO5PS/c1-12(2)17(24(19,20)21)18-25(22,23)16-9-7-14(8-10-16)15-6-4-5-13(3)11-15/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Università "G. d'Annunzio"

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 15: 791-9 (2006)


Article DOI: 10.1016/j.bmc.2006.10.047
BindingDB Entry DOI: 10.7270/Q2DR2V4T
More data for this
Ligand-Target Pair