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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoblastoma-associated protein' and Ligand = 'BDBM50251767'   
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
Retinoblastoma-associated protein


(Homo sapiens (Human))
BDBM50251767
PNG
(CHEMBL4092469)
Show SMILES C1CCC(C1)NC1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C17H22N2/c1-2-7-12(6-1)18-16-11-5-9-14-13-8-3-4-10-15(13)19-17(14)16/h3-4,8,10,12,16,18-19H,1-2,5-7,9,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Padmashri Vikhe Patil College of Arts

Curated by ChEMBL


Assay Description
Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay


Eur J Med Chem 134: 366-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.062
BindingDB Entry DOI: 10.7270/Q2MW2KKK
More data for this
Ligand-Target Pair
Retinoblastoma-associated protein


(Homo sapiens (Human))
BDBM50251767
PNG
(CHEMBL4092469)
Show SMILES C1CCC(C1)NC1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C17H22N2/c1-2-7-12(6-1)18-16-11-5-9-14-13-8-3-4-10-15(13)19-17(14)16/h3-4,8,10,12,16,18-19H,1-2,5-7,9,11H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Padmashri Vikhe Patil College of Arts

Curated by ChEMBL


Assay Description
Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay


Eur J Med Chem 134: 366-378 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.062
BindingDB Entry DOI: 10.7270/Q2MW2KKK
More data for this
Ligand-Target Pair