BDBM50105329 CHEMBL1213492

SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1

InChI Key InChIKey=YALNUENQHAQXEA-UHFFFAOYSA-N

Data  9 KI  18 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50105329   

TargetHistone deacetylase 1(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  2nMAssay Description:Inhibition of human HDAC1More data for this Ligand-Target Pair
TargetHistone deacetylase 3(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  3nMAssay Description:Inhibition of human HDAC3More data for this Ligand-Target Pair
TargetHistone deacetylase 2(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  3nMAssay Description:Inhibition of human HDAC2More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  4.20nMAssay Description:Inhibition of human HDAC6More data for this Ligand-Target Pair
TargetHistone deacetylase 8(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  39nMAssay Description:Inhibition of human HDAC8More data for this Ligand-Target Pair
TargetHistone deacetylase 7(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  240nMAssay Description:Inhibition of human HDAC7More data for this Ligand-Target Pair
TargetHistone deacetylase 9(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  390nMAssay Description:Inhibition of human HDAC9More data for this Ligand-Target Pair
TargetHistone deacetylase 5(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  600nMAssay Description:Inhibition of human HDAC5More data for this Ligand-Target Pair
TargetHistone deacetylase 4(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataKi:  1.05E+3nMAssay Description:Inhibition of human HDAC4More data for this Ligand-Target Pair
TargetHistone deacetylase 7(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 524nMAssay Description:Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected sf9 cells using Boc-L-Lys-MCA as substrate pr...More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 133nMAssay Description:Inhibition of recombinant human C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in sf9 cells using Fluor-de-lys as substrate preincuba...More data for this Ligand-Target Pair
TargetHistone deacetylase 2(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 293nMAssay Description:Inhibition of human HDAC2 expressed in Sf9 cells using Fluor-de-lys as substrate preincubated for 15 mins followed by substrate addition and measured...More data for this Ligand-Target Pair
TargetHistone deacetylase 3/Nuclear receptor corepressor 2(Homo sapiens (Human))
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 136nMAssay Description:Inhibition of human C-terminal His-tagged HDAC3 (1 to 428 residues)/human N-terminal GST-tagged NcoR2 (395 to 489 residues) expressed in sf9 cells us...More data for this Ligand-Target Pair
TargetHistone deacetylase 8(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 837nMAssay Description:Inhibition of recombinant human C-terminal His-tagged HDAC8 expressed in baculovirus infected sf9 cells using Fluor-de-lys as substrate by fluorometr...More data for this Ligand-Target Pair
TargetHistone deacetylase 4(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human HDAC4 expressed in baculovirus infected sf9 cells using Boc-L-Lys-MCA as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
TargetHistone deacetylase 5(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 532nMAssay Description:Inhibition of human HDAC5 using Boc-L-Lys-MCA as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluo...More data for this Ligand-Target Pair
TargetHistone deacetylase 1(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 70nMAssay Description:Inhibition of recombinant human C-terminal His-tagged HDAC1 expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys Green deacet...More data for this Ligand-Target Pair
TargetHistone deacetylase 9(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 512nMAssay Description:Inhibition of C-terminal His-tagged human HDAC9 (604 to 1066 residues) expressed in baculovirus infected sf9 cells using Boc-L-Lys-MCA as substrate p...More data for this Ligand-Target Pair
TargetPolyamine deacetylase HDAC10(Homo sapiens (Human))
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 331nMAssay Description:Inhibition of recombinant human HDAC10 (2 to 631 residues) expressed in baculovirus infected sf9 cells using Fluor-de-lys as substrate preincubated f...More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 312nMAssay Description:Inhibition of recombinant human HDAC6 using Fluor-de-lys as substrate preincubated for 15 mins followed by substrate addition and measured after 60 m...More data for this Ligand-Target Pair
TargetHistone deacetylase 11(Homo sapiens (Human))
University of East Anglia

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 287nMAssay Description:Inhibition of recombinant human HDAC11 expressed in baculovirus infected sf9 cells using Fluor-de-lys as substrate preincubated for 15 mins followed ...More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant human full length N-terminal GST-tagged HDAC6 expressed in Sf9 insect cells using Fluor de Lys deacetylase or Fluor de Lys ...More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 44nMAssay Description:Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound f...More data for this Ligand-Target Pair
TargetHistone deacetylase(Zea mays)
Ghent University

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of maize HD1BMore data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Homo sapiens (Human))
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...More data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Homo sapiens (Human))
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...More data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50105329(CHEMBL1213492)
Show SMILES CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1
Show InChI InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Affinity DataIC50: 44nMAssay Description:Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound f...More data for this Ligand-Target Pair