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BDBM197349 US9216962, CFH381-C

SMILES: ONC(=O)CCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1

InChI Key: InChIKey=ABSSTWUONYNFRT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 197349   
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))
BDBM197349
PNG
(US9216962, CFH381-C)
Show SMILES ONC(=O)CCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C16H20N4O3S2/c21-11(20-23)4-2-1-3-7-17-14(22)12-13(10-5-6-10)25-16(19-12)15-18-8-9-24-15/h8-10,23H,1-7H2,(H,17,22)(H,20,21)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
n/an/a 52n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
Cereblon/Histone deacetylase 6


(Homo sapiens (Human))
BDBM197349
PNG
(US9216962, CFH381-C)
Show SMILES ONC(=O)CCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C16H20N4O3S2/c21-11(20-23)4-2-1-3-7-17-14(22)12-13(10-5-6-10)25-16(19-12)15-18-8-9-24-15/h8-10,23H,1-7H2,(H,17,22)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 105n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM197349
PNG
(US9216962, CFH381-C)
Show SMILES ONC(=O)CCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C16H20N4O3S2/c21-11(20-23)4-2-1-3-7-17-14(22)12-13(10-5-6-10)25-16(19-12)15-18-8-9-24-15/h8-10,23H,1-7H2,(H,17,22)(H,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair