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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50244823   
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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50244823
PNG
(CHEMBL4092722)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(O)=O)cc3)nc2n1C1CCCC1
Show InChI InChI=1S/C28H36N6O4/c1-33(2)27(38)23-17-19-18-29-28(32-26(19)34(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(35)11-5-3-4-6-12-25(36)37/h13-18,22H,3-12H2,1-2H3,(H,30,35)(H,36,37)(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged CDK4/Cyclin-D3 co-expressed in baculovirus infected sf21 cells using Rb substrate i...


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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50244823
PNG
(CHEMBL4092722)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(O)=O)cc3)nc2n1C1CCCC1
Show InChI InChI=1S/C28H36N6O4/c1-33(2)27(38)23-17-19-18-29-28(32-26(19)34(23)22-9-7-8-10-22)31-21-15-13-20(14-16-21)30-24(35)11-5-3-4-6-12-25(36)37/h13-18,22H,3-12H2,1-2H3,(H,30,35)(H,36,37)(H,29,31,32)
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>5.00E+3n/an/an/an/an/an/a



Nankai University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin)


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