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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D1' and Ligand = 'BDBM6848'   
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-D1


(Homo sapiens (Human))
BDBM6848
PNG
(5-{3-[(2-hydroxyethyl)amino]propyl}-18-methyl-3,13...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCNCCO)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C26H24N4O3/c1-30-12-9-15-7-8-17-19(24(15)30)21-20(25(32)29-26(21)33)18-16-6-2-4-14(22(16)28-23(17)18)5-3-10-27-11-13-31/h2,4,6-9,12,27-28,31H,3,5,10-11,13H2,1H3,(H,29,32,33)
PDB
MMDB

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Article
PubMed
n/an/a 19n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM6848
PNG
(5-{3-[(2-hydroxyethyl)amino]propyl}-18-methyl-3,13...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCNCCO)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C26H24N4O3/c1-30-12-9-15-7-8-17-19(24(15)30)21-20(25(32)29-26(21)33)18-16-6-2-4-14(22(16)28-23(17)18)5-3-10-27-11-13-31/h2,4,6-9,12,27-28,31H,3,5,10-11,13H2,1H3,(H,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/a25



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair