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BDBM50468978 CHEMBL4291778

SMILES: CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1

InChI Key: InChIKey=FNIIPERYFWUVCR-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50468978   
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 8


(Homo sapiens (Human))
BDBM50468978
PNG
(CHEMBL4291778)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC8 using fluor de Lys(R) as substrate after 90 mins by fluorescence-based assay


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468978
PNG
(CHEMBL4291778)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full length HDAC6 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after 90 mi...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM50468978
PNG
(CHEMBL4291778)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 42n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468978
PNG
(CHEMBL4291778)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM50468978
PNG
(CHEMBL4291778)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccc(cc3)C(=O)NO)c3ccccc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-24(2,3)32-23(30)27-14-12-25(13-15-27)17-28(21-7-5-4-6-20(21)25)16-18-8-10-19(11-9-18)22(29)26-31/h4-11,31H,12-17H2,1-3H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant C-terminal His/FLAG-tagged full length HDAC1 expressed in insect SF9 cells using fluorogenic ZMAL as substrate after ...


Eur J Med Chem 157: 127-138 (2018)


Article DOI: 10.1016/j.ejmech.2018.07.069
BindingDB Entry DOI: 10.7270/Q2PZ5CJ3
More data for this
Ligand-Target Pair