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BDBM50151281 CHEMBL3770504

SMILES: FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1

InChI Key: InChIKey=ZUPRHDPCDWVJDA-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50151281   
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 1


(Homo sapiens (Human))
BDBM50151281
PNG
(CHEMBL3770504)
Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1
Show InChI InChI=1S/C20H22F3N3O2S2/c21-20(22,23)14(27)7-3-4-10-24-17(28)15-16(11-8-9-11)30-19(26-15)18-25-12-5-1-2-6-13(12)29-18/h11H,1-10H2,(H,24,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged GST-fused recombinant human HDAC1 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...


Eur J Med Chem 112: 81-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.003
BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50151281
PNG
(CHEMBL3770504)
Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1
Show InChI InChI=1S/C20H22F3N3O2S2/c21-20(22,23)14(27)7-3-4-10-24-17(28)15-16(11-8-9-11)30-19(26-15)18-25-12-5-1-2-6-13(12)29-18/h11H,1-10H2,(H,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged GST-fused recombinant human HDAC4 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...


Eur J Med Chem 112: 81-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.003
BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50151281
PNG
(CHEMBL3770504)
Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1
Show InChI InChI=1S/C20H22F3N3O2S2/c21-20(22,23)14(27)7-3-4-10-24-17(28)15-16(11-8-9-11)30-19(26-15)18-25-12-5-1-2-6-13(12)29-18/h11H,1-10H2,(H,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged GST-fused recombinant human HDAC6 expressed in High5 insect cells using Boc-Lys (e-acetyl)-AMC as substrate aft...


Eur J Med Chem 112: 81-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.003
BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50151281
PNG
(CHEMBL3770504)
Show SMILES FC(F)(F)C(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1
Show InChI InChI=1S/C20H22F3N3O2S2/c21-20(22,23)14(27)7-3-4-10-24-17(28)15-16(11-8-9-11)30-19(26-15)18-25-12-5-1-2-6-13(12)29-18/h11H,1-10H2,(H,24,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of full length His6-tagged GST-fused recombinant human HDAC3 expressed in High5 insect cells using Ac-Lys-Tyr-Lys (e-acetyl)-AMC as substr...


Eur J Med Chem 112: 81-90 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.003
BindingDB Entry DOI: 10.7270/Q2ZS2ZDZ
More data for this
Ligand-Target Pair