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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1' and Ligand = 'BDBM126487'   
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))
BDBM126487
PNG
(US8778951, 297)
Show SMILES CC1(C)CC(CNc2ccc(Cl)c(n2)-c2cc(N[C@H]3CC[C@H](O)CC3)ncc2Cl)CCO1 |r,wU:18.18,wD:21.22,(5.7,-2.94,;4.16,-2.94,;4.93,-1.61,;2.83,-2.17,;1.49,-2.94,;.16,-2.17,;-1.17,-2.94,;-2.51,-2.17,;-3.84,-2.94,;-5.17,-2.17,;-5.17,-.63,;-6.51,.14,;-3.84,.14,;-2.51,-.63,;-3.84,1.68,;-2.51,2.45,;-2.51,3.99,;-1.17,4.76,;.16,3.99,;1.49,4.76,;2.83,3.99,;2.83,2.45,;4.16,1.68,;1.49,1.68,;.16,2.45,;-3.84,4.76,;-5.17,3.99,;-5.17,2.45,;-6.51,1.68,;1.49,-4.48,;2.83,-5.25,;4.16,-4.48,)|
Show InChI InChI=1S/C24H32Cl2N4O2/c1-24(2)12-15(9-10-32-24)13-27-21-8-7-19(25)23(30-21)18-11-22(28-14-20(18)26)29-16-3-5-17(31)6-4-16/h7-8,11,14-17,31H,3-6,9-10,12-13H2,1-2H3,(H,27,30)(H,28,29)/t15?,16-,17-
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