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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 = 'BDBM6822'   
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))
BDBM6822
PNG
(3-(3-hydroxypropyl)-6-methoxy-18-methyl-3,13,18-tr...)
Show SMILES COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C25H21N3O4/c1-27-10-8-13-4-6-16-19(22(13)27)21-20(24(30)26-25(21)31)18-15-7-5-14(32-2)12-17(15)28(23(16)18)9-3-11-29/h4-8,10,12,29H,3,9,11H2,1-2H3,(H,26,30,31)
PDB
MMDB

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Article
PubMed
n/an/a 12n/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))
BDBM6822
PNG
(3-(3-hydroxypropyl)-6-methoxy-18-methyl-3,13,18-tr...)
Show SMILES COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C25H21N3O4/c1-27-10-8-13-4-6-16-19(22(13)27)21-20(24(30)26-25(21)31)18-15-7-5-14(32-2)12-17(15)28(23(16)18)9-3-11-29/h4-8,10,12,29H,3,9,11H2,1-2H3,(H,26,30,31)
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 54n/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