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BDBM132691 US8841312, 441

SMILES: C[C@@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1

InChI Key: InChIKey=SKRUYIPFBIYOHZ-QGZVFWFLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 132691   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM132691
PNG
(US8841312, 441)
Show SMILES C[C@@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
Show InChI InChI=1S/C26H33N9O/c1-17(36)14-28-18-9-12-34(13-10-18)24-7-6-23(32-33-24)30-26-29-15-21-20-8-11-27-16-22(20)35(25(21)31-26)19-4-2-3-5-19/h6-8,11,15-19,28,36H,2-5,9-10,12-14H2,1H3,(H,29,30,31,32)/t17-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.70n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM132691
PNG
(US8841312, 441)
Show SMILES C[C@@H](O)CNC1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1 |r|
Show InChI InChI=1S/C26H33N9O/c1-17(36)14-28-18-9-12-34(13-10-18)24-7-6-23(32-33-24)30-26-29-15-21-20-8-11-27-16-22(20)35(25(21)31-26)19-4-2-3-5-19/h6-8,11,15-19,28,36H,2-5,9-10,12-14H2,1H3,(H,29,30,31,32)/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 3.80n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair