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BDBM50509450 CHEMBL4474656

SMILES: CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N

InChI Key: InChIKey=SIRNCVDOMIOFAK-UHFFFAOYSA-N

Data: 10 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50509450   
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 2


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 283n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-ace...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Class 1 histone deacetylase


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 8.42E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of class 1 HDAC in human Cal27CisR cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 0.5 uM ...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Class 1 histone deacetylase


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of class 1 HDAC in human CAL27 cells assessed as potentiation of cisplatin-induced cytotoxicity by measuring cisplatin IC50 at 0.5 uM prei...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells ZMAL as substrate incubated for 90 min...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 4


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-fused and C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in baculovirus infected insect ...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 38n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 586n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 9.21E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His-fusion tagged/N-terminal Strep-2 tagged HDAC8 (1 to 377 residues) expressed in insect cells using Boc-...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 480n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))		BDBM50509450
PNG
(CHEMBL4474656)
Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)
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n/an/a 110n/an/an/an/an/an/a



Heinrich-Heine-Universit£t D£sseldorf

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...

J Med Chem 62: 11260-11279 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01489
More data for this
Ligand-Target Pair