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BDBM50032266 CHEMBL3352823

SMILES: CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O

InChI Key: InChIKey=OIEKPNQPBVLMCJ-RMRQFENRNA-N

Data: 6 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 6 hits for monomerid = 50032266   
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
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC3 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)

More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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300n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC2 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase 11


(Homo sapiens (human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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800n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC11 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)

More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50032266
PNG
(CHEMBL3352823)
Show SMILES CC(C)[C@H]1NC(=O)C[C@@H](C\C=C/CCC(O)=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC1=O
Show InChI InChI=1/C26H36N4O7/c1-15(2)23-26(37)27-16(3)24(35)29-20(13-17-9-11-19(31)12-10-17)25(36)28-18(14-21(32)30-23)7-5-4-6-8-22(33)34/h4-5,9-12,15-16,18,20,23,31H,6-8,13-14H2,1-3H3,(H,27,37)(H,28,36)(H,29,35)(H,30,32)(H,33,34)/b5-4-/t16-,18-,20-,23-/s2
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PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC6 using [Ac-Leu-Gly-Lys(Ac)-AMC substrate incubated for 15 to 30 mins


J Med Chem 57: 9644-57 (2014)

More data for this
Ligand-Target Pair