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BDBM338957 US10201527, Compound 52::US10736881, Compound 52

SMILES: Cn1c(CCCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12

InChI Key: InChIKey=VNWZCFZHQXQJIB-ACCUITESSA-N

Data: 2 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 2 hits for monomerid = 338957   
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
Cereblon/Histone deacetylase 1


(Homo sapiens (Human))
BDBM338957
PNG
(US10201527, Compound 52 | US10736881, Compound 52)
Show SMILES Cn1c(CCCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-23-18-12-10-16(11-13-20(24)22-25)14-17(18)21-19(23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14,25H,5,8-9H2,1H3,(H,22,24)/b13-11+
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 160n/an/an/an/an/an/a



MEI Pharma, Inc.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10736881 (2020)

More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM338957
PNG
(US10201527, Compound 52 | US10736881, Compound 52)
Show SMILES Cn1c(CCCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
Show InChI InChI=1S/C20H21N3O2/c1-23-18-12-10-16(11-13-20(24)22-25)14-17(18)21-19(23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14,25H,5,8-9H2,1H3,(H,22,24)/b13-11+
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 160n/an/an/an/an/an/a



MEI PHARMA, INC.

US Patent


Assay Description
The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...


US Patent US10201527 (2019)


BindingDB Entry DOI: 10.7270/Q2PK0J7F
More data for this
Ligand-Target Pair