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BDBM50525406 CHEMBL164868

SMILES: C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C

InChI Key: InChIKey=RTKIYFITIVXBLE-LEJRBOCMSA-N

Data: 10 IC50

PDB links: 1 PDB ID matches this monomer.

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 10 hits for monomerid = 50525406   
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
Cereblon/Histone deacetylase 4


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Histone deacetylase 7


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC7 using fluorogenic HDAC substrate class 2a measured after 45 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Histone deacetylase 9


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC9 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Histone deacetylase 10


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using fluorogenic HDAC substrate measured after 45 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Histone deacetylase 5


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC5 using fluorogenic HDAC substrate class 2a measured after 30 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 2


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate measured after 30 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate measured after 60 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate measured after 10 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))		BDBM50525406
PNG
(CHEMBL164868)
Show SMILES C[C@@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



UMR CNRS 7285

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate measured after 15 mins by fluorimetry assay

ACS Med Chem Lett 10: 863-868 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00440
More data for this
Ligand-Target Pair