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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1' and Ligand = 'BDBM126488'   
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))
BDBM126488
PNG
(US8778951, 298)
Show SMILES CC1(C)CC(CNc2ccc(Cl)c(n2)-c2cc(N[C@H]3CC[C@@H](CC3)NC[C@H](O)C(F)(F)F)ncc2Cl)CCO1 |r,wU:18.18,wD:21.25,26.28,(4.57,-2.94,;3.03,-2.94,;3.8,-1.61,;1.7,-2.17,;.36,-2.94,;-.97,-2.17,;-2.3,-2.94,;-3.64,-2.17,;-4.97,-2.94,;-6.31,-2.17,;-6.31,-.63,;-7.64,.14,;-4.97,.14,;-3.64,-.63,;-4.97,1.68,;-3.64,2.45,;-3.64,3.99,;-2.3,4.76,;-.97,3.99,;.36,4.76,;1.7,3.99,;1.7,2.45,;.36,1.68,;-.97,2.45,;3.03,1.68,;4.36,2.45,;5.7,1.68,;7.03,2.45,;5.7,.14,;7.03,-.63,;4.36,-.63,;4.93,-1.2,;-4.97,4.76,;-6.31,3.99,;-6.31,2.45,;-7.64,1.68,;.36,-4.48,;1.7,-5.25,;3.03,-4.48,)|
Show InChI InChI=1S/C27H36Cl2F3N5O2/c1-26(2)12-16(9-10-39-26)13-34-23-8-7-20(28)25(37-23)19-11-24(35-14-21(19)29)36-18-5-3-17(4-6-18)33-15-22(38)27(30,31)32/h7-8,11,14,16-18,22,33,38H,3-6,9-10,12-13,15H2,1-2H3,(H,34,37)(H,35,36)/t16?,17-,18-,22-/m0/s1
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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