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BDBM50131949 2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-ylmethyl)-cyclopentanecarboxylic acid::CHEMBL126712

SMILES: CC1(C)NC(=O)N(C[C@@H]2CC[C@H](Sc3ccc(cc3)-c3ccc(Cl)cc3)[C@H]2C(O)=O)C1=O

InChI Key: InChIKey=DRINIAFHXKEERM-VDGAXYAQSA-N

Data: 5 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 5 hits for monomerid = 50131949   
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))
BDBM50131949
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(4,4-dimethy...)
Show SMILES CC1(C)NC(=O)N(C[C@@H]2CC[C@H](Sc3ccc(cc3)-c3ccc(Cl)cc3)[C@H]2C(O)=O)C1=O
Show InChI InChI=1S/C24H25ClN2O4S/c1-24(2)22(30)27(23(31)26-24)13-16-7-12-19(20(16)21(28)29)32-18-10-5-15(6-11-18)14-3-8-17(25)9-4-14/h3-6,8-11,16,19-20H,7,12-13H2,1-2H3,(H,26,31)(H,28,29)/t16-,19-,20-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-3 (MMP3)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50131949
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(4,4-dimethy...)
Show SMILES CC1(C)NC(=O)N(C[C@@H]2CC[C@H](Sc3ccc(cc3)-c3ccc(Cl)cc3)[C@H]2C(O)=O)C1=O
Show InChI InChI=1S/C24H25ClN2O4S/c1-24(2)22(30)27(23(31)26-24)13-16-7-12-19(20(16)21(28)29)32-18-10-5-15(6-11-18)14-3-8-17(25)9-4-14/h3-6,8-11,16,19-20H,7,12-13H2,1-2H3,(H,26,31)(H,28,29)/t16-,19-,20-/m0/s1
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n/an/a 572n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2 (MMP2)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50131949
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(4,4-dimethy...)
Show SMILES CC1(C)NC(=O)N(C[C@@H]2CC[C@H](Sc3ccc(cc3)-c3ccc(Cl)cc3)[C@H]2C(O)=O)C1=O
Show InChI InChI=1S/C24H25ClN2O4S/c1-24(2)22(30)27(23(31)26-24)13-16-7-12-19(20(16)21(28)29)32-18-10-5-15(6-11-18)14-3-8-17(25)9-4-14/h3-6,8-11,16,19-20H,7,12-13H2,1-2H3,(H,26,31)(H,28,29)/t16-,19-,20-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-1 (MMP1)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50131949
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(4,4-dimethy...)
Show SMILES CC1(C)NC(=O)N(C[C@@H]2CC[C@H](Sc3ccc(cc3)-c3ccc(Cl)cc3)[C@H]2C(O)=O)C1=O
Show InChI InChI=1S/C24H25ClN2O4S/c1-24(2)22(30)27(23(31)26-24)13-16-7-12-19(20(16)21(28)29)32-18-10-5-15(6-11-18)14-3-8-17(25)9-4-14/h3-6,8-11,16,19-20H,7,12-13H2,1-2H3,(H,26,31)(H,28,29)/t16-,19-,20-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP13)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50131949
PNG
(2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(4,4-dimethy...)
Show SMILES CC1(C)NC(=O)N(C[C@@H]2CC[C@H](Sc3ccc(cc3)-c3ccc(Cl)cc3)[C@H]2C(O)=O)C1=O
Show InChI InChI=1S/C24H25ClN2O4S/c1-24(2)22(30)27(23(31)26-24)13-16-7-12-19(20(16)21(28)29)32-18-10-5-15(6-11-18)14-3-8-17(25)9-4-14/h3-6,8-11,16,19-20H,7,12-13H2,1-2H3,(H,26,31)(H,28,29)/t16-,19-,20-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9 (MMP9)


J Med Chem 46: 3840-52 (2003)


Article DOI: 10.1021/jm0307638
BindingDB Entry DOI: 10.7270/Q2CC11FF
More data for this
Ligand-Target Pair