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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-Dependent Kinase 4 (CDK4)' and Ligand = 'BDBM6827'   
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 (CDK4)


(Homo sapiens (Human))
BDBM6827
PNG
(3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r|
Show InChI InChI=1S/C29H28N4O4/c1-31-11-9-16-5-7-20-23(26(16)31)25-24(28(35)30-29(25)36)22-19-8-6-18(37-2)14-21(19)33(27(20)22)13-12-32-10-3-4-17(32)15-34/h5-9,11,14,17,34H,3-4,10,12-13,15H2,1-2H3,(H,30,35,36)/t17-/m0/s1
PDB
MMDB

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PC cid
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UniChem

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Article
PubMed
n/an/a 23n/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: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM6827
PNG
(3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r|
Show InChI InChI=1S/C29H28N4O4/c1-31-11-9-16-5-7-20-23(26(16)31)25-24(28(35)30-29(25)36)22-19-8-6-18(37-2)14-21(19)33(27(20)22)13-12-32-10-3-4-17(32)15-34/h5-9,11,14,17,34H,3-4,10,12-13,15H2,1-2H3,(H,30,35,36)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 84n/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: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair