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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50110179   
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


(Homo sapiens (Human))
BDBM50110179
PNG
(CHEMBL190281)
Show SMILES Brc1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H25BrN6O/c23-19-13-15-14-25-22(27-20(15)29(21(19)30)18-3-1-2-4-18)26-16-5-7-17(8-6-16)28-11-9-24-10-12-28/h5-8,13-14,18,24H,1-4,9-12H2,(H,25,26,27)
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MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measur...


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50110179
PNG
(CHEMBL190281)
Show SMILES Brc1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H25BrN6O/c23-19-13-15-14-25-22(27-20(15)29(21(19)30)18-3-1-2-4-18)26-16-5-7-17(8-6-16)28-11-9-24-10-12-28/h5-8,13-14,18,24H,1-4,9-12H2,(H,25,26,27)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin) using GST-fused pRb (792 to 928) as substrate preincubated for 2 mins followed by [gamma-32P]-ATP addition measur...


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair