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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50378830'   
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-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50378830
PNG
(CHEMBL1241136)
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])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(F)cc1)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C33H56FN11O6/c1-5-19(4)26(31(50)43-24(27(36)46)17-20-10-12-21(34)13-11-20)45-30(49)25(16-18(2)3)44-29(48)23(9-7-15-41-33(39)51)42-28(47)22(35)8-6-14-40-32(37)38/h10-13,18-19,22-26H,5-9,14-17,35H2,1-4H3,(H2,36,46)(H,42,47)(H,43,50)(H,44,48)(H,45,49)(H4,37,38,40)(H3,39,41,51)/t19-,22-,23-,24-,25-,26-/m0/s1
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Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair