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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1' and Ligand = 'BDBM126474'   
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-T1


(Homo sapiens (Human))
BDBM126474
PNG
(US8778951, 284)
Show SMILES C[C@H]1CC(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)C[C@@H](C)O1 |r,wU:16.16,1.0,28.31,wD:19.20,(3.33,-6.44,;3.33,-4.9,;2,-4.13,;2,-2.59,;.67,-1.82,;-.67,-2.59,;-2,-1.82,;-3.33,-2.59,;-4.67,-1.82,;-4.67,-.28,;-3.33,.49,;-2,-.28,;-3.33,2.03,;-2,2.8,;-2,4.34,;-.67,5.11,;.87,5.11,;1.64,6.44,;3.18,6.44,;3.95,5.11,;5.49,5.11,;3.18,3.77,;1.64,3.77,;-3.33,5.11,;-4.67,4.34,;-4.67,2.8,;-6,2.03,;3.33,-1.82,;4.67,-2.59,;6,-1.82,;4.67,-4.13,)|
Show InChI InChI=1S/C24H34ClN5O/c1-15-10-17(11-16(2)31-15)13-27-23-5-3-4-22(30-23)20-12-24(28-14-21(20)25)29-19-8-6-18(26)7-9-19/h3-5,12,14-19H,6-11,13,26H2,1-2H3,(H,27,30)(H,28,29)/t15-,16+,17?,18-,19-
PDB
MMDB

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Similars

US Patent
n/an/a 0.00100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final total protein concentration in the assay 4 nM. The 5TAMRA-cdk7tide peptide substrat...


US Patent US8778951 (2014)


BindingDB Entry DOI: 10.7270/Q25B014T
More data for this
Ligand-Target Pair