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BDBM50313839 (R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione::CHEMBL1077203

SMILES: Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O

InChI Key: InChIKey=CNUCYIDHDPTDOD-SFHVURJKSA-N

Data: 9 KI

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 9 hits for monomerid = 50313839   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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PubMed
0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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Article
PubMed
176n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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PubMed
245n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ADAM10


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP14


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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PubMed
1.21E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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>4.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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>4.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50313839
PNG
((R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4...)
Show SMILES Fc1ccc(cc1)[C@]1(CN2Cc3ccc(Cl)cc3C2=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-4-1-10-8-23(15(24)14(10)7-12)9-18(16(25)21-17(26)22-18)11-2-5-13(20)6-3-11/h1-7H,8-9H2,(H2,21,22,25,26)/t18-/m0/s1
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PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 20: 1877-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.148
BindingDB Entry DOI: 10.7270/Q2F76CQ9
More data for this
Ligand-Target Pair