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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50244881   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50244881
PNG
(CHEMBL4102249)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCCCC(=O)NO)nc2n1C1CCCC1
Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-18-21-19-31-29(33-26(21)36(24)23-10-7-8-11-23)32-22-15-13-20(14-16-22)27(38)30-17-9-5-3-4-6-12-25(37)34-40/h13-16,18-19,23,40H,3-12,17H2,1-2H3,(H,30,38)(H,34,37)(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15


J Med Chem 61: 3166-3192 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50244881
PNG
(CHEMBL4102249)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)C(=O)NCCCCCCCC(=O)NO)nc2n1C1CCCC1
Show InChI InChI=1S/C29H39N7O4/c1-35(2)28(39)24-18-21-19-31-29(33-26(21)36(24)23-10-7-8-11-23)32-22-15-13-20(14-16-22)27(38)30-17-9-5-3-4-6-12-25(37)34-40/h13-16,18-19,23,40H,3-12,17H2,1-2H3,(H,30,38)(H,34,37)(H,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15


J Med Chem 61: 3166-3192 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00209
BindingDB Entry DOI: 10.7270/Q2KS6TZK
More data for this
Ligand-Target Pair