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SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-n2cccn2)o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O

InChI Key: InChIKey=ZXKDFDMIVZBZTD-NFWZRYHXSA-N

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   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 = 50444668   
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/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50444668
PNG
(CHEMBL3098665)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-n2cccn2)o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C36H51N9O7/c1-5-23(4)30(34(49)43-28(35(50)51)20-24-11-7-6-8-12-24)44-32(47)27(19-22(2)3)42-31(46)26(13-9-16-39-36(37)38)41-33(48)29-15-14-25(52-29)21-45-18-10-17-40-45/h6-8,10-12,14-15,17-18,22-23,26-28,30H,5,9,13,16,19-21H2,1-4H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)(H,50,51)(H4,37,38,39)/t23-,26-,27-,28-,30-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50444668
PNG
(CHEMBL3098665)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-n2cccn2)o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
Show InChI InChI=1S/C36H51N9O7/c1-5-23(4)30(34(49)43-28(35(50)51)20-24-11-7-6-8-12-24)44-32(47)27(19-22(2)3)42-31(46)26(13-9-16-39-36(37)38)41-33(48)29-15-14-25(52-29)21-45-18-10-17-40-45/h6-8,10-12,14-15,17-18,22-23,26-28,30H,5,9,13,16,19-21H2,1-4H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)(H,50,51)(H4,37,38,39)/t23-,26-,27-,28-,30-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair