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BDBM50198034 CHEMBL376557::[(R)-1-(4'-chloro-biphenyl-4-sulfonylamino)-2-methyl-propyl]-phosphonic acid

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

InChI Key: InChIKey=BUKCBCDGRPOFJP-MRXNPFEDSA-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 = 50198034   
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))
BDBM50198034
PNG
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1
PDB
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Article
PubMed
n/an/a 21n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50198034
PNG
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1
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Article
PubMed
n/an/a 47n/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)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50198034
PNG
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1
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Article
PubMed
n/an/a 28n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50198034
PNG
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1
PDB
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PubMed
n/an/a 1.70E+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)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50198034
PNG
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 5.30n/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)

More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50198034
PNG
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1
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Article
PubMed
n/an/a 77n/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)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50198034
PNG
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1
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Article
PubMed
n/an/a 0.810n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Collagenase


(homo sapiens (human))
BDBM50198034
PNG
(CHEMBL376557 | [(R)-1-(4'-chloro-biphenyl-4-sulfon...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)P(O)(O)=O
Show InChI InChI=1S/C16H19ClNO5PS/c1-11(2)16(24(19,20)21)18-25(22,23)15-9-5-13(6-10-15)12-3-7-14(17)8-4-12/h3-11,16,18H,1-2H3,(H2,19,20,21)/t16-/m1/s1
PDB
MMDB

Reactome pathway
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Article
PubMed
n/an/a 8.70n/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)

More data for this
Ligand-Target Pair