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BDBM50084293 (S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methyl-butyric acid::2-(4'-Chloro-biphenyl-4-sulfonylamino)-3-methyl-butyric acid::CHEMBL296196

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

InChI Key: InChIKey=PTONAIKVYGVBIS-INIZCTEOSA-N

Data: 13 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 13 hits for monomerid = 50084293   
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))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 1.60E+4n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 9n/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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 7.50E+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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 6.50E+3n/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))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 11n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 48n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


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-7 (MMP7)


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-7 (MMP-7)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-9 (MMP-9)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-2 (MMP-2)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-13 (MMP-13)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant human matrix metalloprotease-3 (MMP-3)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50084293
PNG
((S)-2-(4'-chloro-biphenyl-4-sulfonylamino)-3-methy...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H18ClNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant matrix metalloprotease-1 (MMP-1)


J Med Chem 43: 156-66 (2000)


BindingDB Entry DOI: 10.7270/Q2T154BF
More data for this
Ligand-Target Pair