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Compile Data Set for Download or QSAR

Found 2687 hits of ic50 for UniProtKB: O60563   
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-T1


(Homo sapiens (Human))
BDBM126530
PNG
(US8778951, 341)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:4.7,wD:1.0,(4.84,1.68,;3.51,2.45,;3.51,3.99,;2.18,4.76,;.84,3.99,;.84,2.45,;2.18,1.68,;-.49,4.76,;-1.82,3.99,;-1.82,2.45,;-3.16,1.68,;-4.49,2.45,;-5.82,1.68,;-4.49,3.99,;-3.16,4.76,;-3.16,.14,;-4.49,-.63,;-4.49,-2.17,;-3.16,-2.94,;-3.16,-4.48,;-1.82,-2.17,;-.49,-2.94,;.84,-2.17,;2.18,-2.94,;2.18,-4.48,;3.51,-5.25,;4.84,-4.48,;4.84,-2.94,;3.51,-2.17,;2.18,-1.4,;2.18,.14,;-1.82,-.63,)|
Show InChI InChI=1S/C23H28ClFN6O/c24-18-12-28-21(30-16-3-1-15(27)2-4-16)11-17(18)20-6-5-19(25)22(31-20)29-14-23(13-26)7-9-32-10-8-23/h5-6,11-12,15-16H,1-4,7-10,14,27H2,(H,28,30)(H,29,31)/t15-,16-
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n/an/a 0.000150n/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
Cyclin-T1


(Homo sapiens (Human))
BDBM126546
PNG
(US8778951, 357)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.7,;4,4.24,;2.67,5,;1.33,4.24,;1.33,2.7,;2.67,1.93,;,5.01,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;2.67,-1.16,;2.67,.38,;-1.33,-.39,)|
Show InChI InChI=1S/C23H27ClFN5O2/c24-18-12-27-21(29-15-1-3-16(31)4-2-15)11-17(18)20-6-5-19(25)22(30-20)28-14-23(13-26)7-9-32-10-8-23/h5-6,11-12,15-16,31H,1-4,7-10,14H2,(H,27,29)(H,28,30)/t15-,16-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126528
PNG
(US8778951, 339)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:8.11,wD:5.4,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-5.77,-4.48,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
Show InChI InChI=1S/C26H34ClFN6O2/c1-35-13-10-30-18-2-4-19(5-3-18)33-24-14-20(21(27)15-31-24)23-7-6-22(28)25(34-23)32-17-26(16-29)8-11-36-12-9-26/h6-7,14-15,18-19,30H,2-5,8-13,17H2,1H3,(H,31,33)(H,32,34)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126547
PNG
(US8778951, 358)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(8,1.93,;6.67,2.7,;5.33,1.93,;4,2.7,;4,4.24,;2.67,1.93,;1.33,2.7,;1.33,4.24,;,5,;-1.33,4.24,;-1.33,2.7,;,1.93,;-2.67,5.01,;-4,4.23,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.39,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;,-4.24,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;,-1.16,;,.38,;-4,-.39,)|
Show InChI InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34)/t19-,20-,21-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126531
PNG
(US8778951, 342)
Show SMILES CCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:7.10,wD:4.3,(6.97,2.45,;5.64,1.68,;4.3,2.45,;2.97,1.68,;1.63,2.45,;1.63,3.99,;.3,4.76,;-1.03,3.99,;-1.03,2.45,;.3,1.68,;-2.37,4.76,;-3.7,3.99,;-3.7,2.45,;-5.03,1.68,;-6.37,2.45,;-7.7,1.68,;-6.37,3.99,;-5.03,4.76,;-5.03,.14,;-6.37,-.63,;-6.37,-2.17,;-5.03,-2.94,;-5.03,-4.48,;-3.7,-2.17,;-2.37,-2.94,;-1.03,-2.17,;.3,-2.94,;.3,-4.48,;1.63,-5.25,;2.97,-4.48,;2.97,-2.94,;1.63,-2.17,;.3,-1.4,;.3,.14,;-3.7,-.63,)|
Show InChI InChI=1S/C26H34ClFN6O/c1-2-11-30-18-3-5-19(6-4-18)33-24-14-20(21(27)15-31-24)23-8-7-22(28)25(34-23)32-17-26(16-29)9-12-35-13-10-26/h7-8,14-15,18-19,30H,2-6,9-13,17H2,1H3,(H,31,33)(H,32,34)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126529
PNG
(US8778951, 340)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-5.77,-4.48,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
Show InChI InChI=1S/C27H36ClFN6O2/c1-18(15-36-2)33-19-3-5-20(6-4-19)34-25-13-21(22(28)14-31-25)24-8-7-23(29)26(35-24)32-17-27(16-30)9-11-37-12-10-27/h7-8,13-14,18-20,33H,3-6,9-12,15,17H2,1-2H3,(H,31,34)(H,32,35)/t18-,19-,20-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126548
PNG
(US8778951, 359)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.7,;4,4.24,;2.67,5,;1.33,4.24,;1.33,2.7,;2.67,1.93,;,5.01,;-1.33,4.23,;-1.33,2.69,;-2.67,1.92,;-4,2.69,;-5.33,1.92,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;2.67,-2.7,;2.67,-4.24,;4,-5.01,;5.33,-4.24,;5.33,-2.7,;4,-1.93,;2.67,-1.16,;2.67,.38,;-1.33,-.39,)|
Show InChI InChI=1S/C23H28ClN5O2/c24-19-13-26-22(28-16-4-6-17(30)7-5-16)12-18(19)20-2-1-3-21(29-20)27-15-23(14-25)8-10-31-11-9-23/h1-3,12-13,16-17,30H,4-11,15H2,(H,26,28)(H,27,29)/t16-,17-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126507
PNG
(US8778951, 318)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)c(F)cc1F |r,wU:1.0,wD:4.7,(5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;2.67,5,;4,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-1.33,-.38,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-2.67,-2.69,;-2.67,-4.23,;-4,-1.93,;-4,-.38,;-5.33,.38,)|
Show InChI InChI=1S/C22H28ClF2N5O/c23-17-12-27-20(29-15-3-1-14(26)2-4-15)9-16(17)21-18(24)10-19(25)22(30-21)28-11-13-5-7-31-8-6-13/h9-10,12-15H,1-8,11,26H2,(H,27,29)(H,28,30)/t14-,15-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126524
PNG
(US8778951, 335)
Show SMILES CC1(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc(F)c(NCC3(CCOCC3)C#N)n2)OCCO1 |r,wU:6.9,wD:3.2,(4.82,1.15,;4.82,2.69,;3.48,1.93,;2.15,2.69,;2.15,4.23,;.82,5,;-.52,4.23,;-.52,2.69,;.82,1.93,;-1.85,5,;-3.19,4.23,;-3.19,2.69,;-4.52,1.93,;-5.85,2.69,;-7.19,1.93,;-5.85,4.23,;-4.52,5,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-4.52,-4.23,;-3.19,-1.93,;-1.85,-2.69,;-.52,-1.93,;.82,-2.69,;.82,-4.23,;2.15,-5,;3.48,-4.23,;3.48,-2.69,;2.15,-1.92,;.82,-1.15,;.82,.38,;-3.19,-.38,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,)|
Show InChI InChI=1S/C27H34ClFN6O3/c1-26(37-12-13-38-26)35-19-4-2-18(3-5-19)33-24-14-20(21(28)15-31-24)23-7-6-22(29)25(34-23)32-17-27(16-30)8-10-36-11-9-27/h6-7,14-15,18-19,35H,2-5,8-13,17H2,1H3,(H,31,33)(H,32,34)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126549
PNG
(US8778951, 360)
Show SMILES CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.9,wD:3.2,(6.67,1.93,;5.33,2.7,;4,1.93,;2.67,2.7,;2.67,4.24,;1.33,5,;,4.24,;,2.7,;1.33,1.93,;-1.33,5.01,;-2.67,4.23,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-6.67,1.92,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.39,;-5.33,-1.93,;-4,-2.7,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;1.33,-2.7,;1.33,-4.24,;2.67,-5.01,;4,-4.24,;4,-2.7,;2.67,-1.93,;1.33,-1.16,;1.33,.38,;-2.67,-.39,)|
Show InChI InChI=1S/C25H33ClN6O/c1-2-28-18-6-8-19(9-7-18)31-24-14-20(21(26)15-29-24)22-4-3-5-23(32-22)30-17-25(16-27)10-12-33-13-11-25/h3-5,14-15,18-19,28H,2,6-13,17H2,1H3,(H,29,31)(H,30,32)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126502
PNG
(US8778951, 312)
Show SMILES CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)CCOCC1 |r,wU:15.15,wD:18.19,(2.67,-1.15,;2.67,-2.69,;1.33,-1.93,;,-2.69,;-1.33,-1.93,;-1.33,-.38,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,)|
Show InChI InChI=1S/C23H31ClFN5O/c1-23(8-10-31-11-9-23)14-28-22-19(25)6-7-20(30-22)17-12-21(27-13-18(17)24)29-16-4-2-15(26)3-5-16/h6-7,12-13,15-16H,2-5,8-11,14,26H2,1H3,(H,27,29)(H,28,30)/t15-,16-
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n/an/a 0.000300n/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
Cyclin-T1


(Homo sapiens (Human))
BDBM126550
PNG
(US8778951, 361)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.9,wD:3.2,(6,2.7,;4.67,1.93,;4.67,.39,;3.33,2.7,;3.33,4.24,;2,5,;.67,4.24,;.67,2.7,;2,1.93,;-.67,5.01,;-2,4.23,;-2,2.69,;-3.33,1.92,;-4.67,2.69,;-6,1.92,;-4.67,4.23,;-3.33,5,;-3.33,.38,;-4.67,-.39,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;.67,-1.93,;2,-2.7,;2,-4.24,;3.33,-5.01,;4.67,-4.24,;4.67,-2.7,;3.33,-1.93,;2,-1.16,;2,.38,;-2,-.39,)|
Show InChI InChI=1S/C25H33ClN6O/c1-32(2)19-8-6-18(7-9-19)30-24-14-20(21(26)15-28-24)22-4-3-5-23(31-22)29-17-25(16-27)10-12-33-13-11-25/h3-5,14-15,18-19H,6-13,17H2,1-2H3,(H,28,30)(H,29,31)/t18-,19-
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n/an/a 0.000300n/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
Cyclin-T1


(Homo sapiens (Human))
BDBM126500
PNG
(US8778951, 310)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
Show InChI InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34)/t19-,20-,21-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126532
PNG
(US8778951, 343)
Show SMILES CCCN(CCC)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2(CCOCC2)C#N)n1 |r,wU:10.13,wD:7.6,(7.02,2.45,;5.69,1.68,;4.36,2.45,;3.02,1.68,;3.02,.14,;4.36,-.63,;5.13,-1.97,;1.69,2.45,;1.69,3.99,;.35,4.76,;-.98,3.99,;-.98,2.45,;.35,1.68,;-2.31,4.76,;-3.65,3.99,;-3.65,2.45,;-4.98,1.68,;-6.31,2.45,;-7.65,1.68,;-6.31,3.99,;-4.98,4.76,;-4.98,.14,;-6.31,-.63,;-6.31,-2.17,;-4.98,-2.94,;-4.98,-4.48,;-3.65,-2.17,;-2.31,-2.94,;-.98,-2.17,;.35,-2.94,;.35,-4.48,;1.69,-5.25,;3.02,-4.48,;3.02,-2.94,;1.69,-2.17,;.35,-1.4,;.35,.14,;-3.65,-.63,)|
Show InChI InChI=1S/C29H40ClFN6O/c1-3-13-37(14-4-2)22-7-5-21(6-8-22)35-27-17-23(24(30)18-33-27)26-10-9-25(31)28(36-26)34-20-29(19-32)11-15-38-16-12-29/h9-10,17-18,21-22H,3-8,11-16,20H2,1-2H3,(H,33,35)(H,34,36)/t21-,22-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126551
PNG
(US8778951, 362)
Show SMILES FC(F)(F)OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:11.14,wD:8.7,(8.67,2.7,;7.34,1.93,;7.34,.39,;8.67,1.16,;6,2.7,;4.67,1.93,;3.33,2.7,;2,1.93,;.67,2.7,;.67,4.24,;-.67,5.01,;-2,4.24,;-2,2.7,;-.67,1.93,;-3.33,5.01,;-4.67,4.23,;-4.67,2.69,;-6,1.92,;-7.34,2.69,;-8.67,1.92,;-7.34,4.23,;-6,5,;-6,.38,;-7.34,-.39,;-7.34,-1.93,;-6,-2.7,;-4.67,-1.93,;-3.33,-2.7,;-2,-1.93,;-.67,-2.7,;-.67,-4.24,;.67,-5.01,;2,-4.24,;2,-2.7,;.67,-1.93,;-.67,-1.16,;-.67,.38,;-4.67,-.39,)|
Show InChI InChI=1S/C26H32ClF3N6O2/c27-21-15-33-24(35-19-6-4-18(5-7-19)32-10-13-38-26(28,29)30)14-20(21)22-2-1-3-23(36-22)34-17-25(16-31)8-11-37-12-9-25/h1-3,14-15,18-19,32H,4-13,17H2,(H,33,35)(H,34,36)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126552
PNG
(US8778951, 363)
Show SMILES Clc1cnc(N[C@H]2CC[C@@H](CC2)NC2CCOCC2)cc1-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:6.5,wD:9.12,(-7.57,1.92,;-6.23,2.69,;-6.23,4.23,;-4.9,5,;-3.56,4.23,;-2.23,5.01,;-.9,4.24,;.44,5.01,;1.77,4.24,;1.77,2.7,;.44,1.93,;-.9,2.7,;3.1,1.93,;4.59,2.32,;5.68,1.23,;7.17,1.63,;7.57,3.12,;6.48,4.21,;4.99,3.81,;-3.56,2.69,;-4.9,1.92,;-4.9,.38,;-6.23,-.39,;-6.23,-1.93,;-4.9,-2.7,;-3.56,-1.93,;-2.23,-2.7,;-.9,-1.93,;.44,-2.7,;.44,-4.24,;1.77,-5.01,;3.1,-4.24,;3.1,-2.7,;1.77,-1.93,;.44,-1.16,;.44,.38,;-3.56,-.39,)|
Show InChI InChI=1S/C28H37ClN6O2/c29-24-17-31-27(34-21-6-4-20(5-7-21)33-22-8-12-36-13-9-22)16-23(24)25-2-1-3-26(35-25)32-19-28(18-30)10-14-37-15-11-28/h1-3,16-17,20-22,33H,4-15,19H2,(H,31,34)(H,32,35)/t20-,21-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126515
PNG
(US8778951, 326)
Show SMILES CS(=O)(=O)CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:10.13,wD:7.6,(8,3.46,;6.67,2.69,;5.9,4.03,;7.44,1.36,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
Show InChI InChI=1S/C25H35ClFN5O3S/c1-36(33,34)13-10-28-18-2-4-19(5-3-18)31-24-14-20(21(26)16-29-24)23-7-6-22(27)25(32-23)30-15-17-8-11-35-12-9-17/h6-7,14,16-19,28H,2-5,8-13,15H2,1H3,(H,29,31)(H,30,32)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126553
PNG
(US8778951, 364)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(F)CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.93,;6.67,2.7,;5.33,1.93,;4,2.7,;2.67,1.93,;1.33,2.7,;1.33,4.24,;,5.01,;-1.33,4.24,;-1.33,2.7,;,1.93,;-2.67,5.01,;-4,4.23,;-4,2.69,;-5.33,1.92,;-6.67,2.69,;-8,1.92,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.39,;-6.67,-1.93,;-5.33,-2.7,;-4,-1.93,;-2.67,-2.7,;-1.33,-1.93,;,-2.7,;,-1.16,;,-4.24,;1.33,-5.01,;2.67,-4.24,;2.67,-2.7,;1.33,-1.93,;-4,-.39,)|
Show InChI InChI=1S/C25H35ClFN5O2/c1-33-14-11-28-18-5-7-19(8-6-18)31-24-15-20(21(26)16-29-24)22-3-2-4-23(32-22)30-17-25(27)9-12-34-13-10-25/h2-4,15-16,18-19,28H,5-14,17H2,1H3,(H,29,31)(H,30,32)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126554
PNG
(US8778951, 365)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(C)CCS(=O)(=O)CC2)n1 |r,wU:9.12,wD:6.5,3.3,(8,3.36,;6.67,4.13,;5.33,3.36,;4,4.13,;4,5.67,;2.67,3.36,;1.33,4.13,;1.33,5.67,;,6.44,;-1.33,5.67,;-1.33,4.13,;,3.36,;-2.67,6.44,;-4,5.67,;-4,4.13,;-5.33,3.36,;-6.67,4.13,;-8,3.36,;-6.67,5.67,;-5.33,6.44,;-5.33,1.82,;-6.67,1.05,;-6.67,-.49,;-5.33,-1.26,;-4,-.49,;-2.67,-1.26,;-2.67,-2.8,;-1.33,-3.57,;-1.33,-2.03,;-1.33,-5.11,;,-5.88,;1.33,-5.11,;2.87,-5.11,;2.1,-6.44,;1.33,-3.57,;,-2.8,;-4,1.05,)|
Show InChI InChI=1S/C27H40ClN5O3S/c1-19(17-36-3)31-20-7-9-21(10-8-20)32-26-15-22(23(28)16-29-26)24-5-4-6-25(33-24)30-18-27(2)11-13-37(34,35)14-12-27/h4-6,15-16,19-21,31H,7-14,17-18H2,1-3H3,(H,29,32)(H,30,33)/t19-,20-,21-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126539
PNG
(US8778951, 350)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CO)CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-1.15,;1.33,-.38,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
Show InChI InChI=1S/C26H38ClN5O3/c1-34-14-11-28-19-5-7-20(8-6-19)31-25-15-21(22(27)16-29-25)23-3-2-4-24(32-23)30-17-26(18-33)9-12-35-13-10-26/h2-4,15-16,19-20,28,33H,5-14,17-18H2,1H3,(H,29,31)(H,30,32)/t19-,20-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126538
PNG
(US8778951, 349)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CO)CCOCC2)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-1.4,;.89,-.63,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-4.44,-.63,)|
Show InChI InChI=1S/C27H40ClN5O3/c1-19(16-35-2)31-20-6-8-21(9-7-20)32-26-14-22(23(28)15-29-26)24-4-3-5-25(33-24)30-17-27(18-34)10-12-36-13-11-27/h3-5,14-15,19-21,31,34H,6-13,16-18H2,1-2H3,(H,29,32)(H,30,33)/t19-,20-,21-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126536
PNG
(US8778951, 347)
Show SMILES CC1(CNc2nc(ccc2F)-c2cc(NC3CCC(CC3)NC3CS(=O)(=O)C3)ncc2Cl)CCOCC1 |(.29,-1.21,;.29,-2.75,;-1.05,-1.98,;-2.38,-2.75,;-3.71,-1.98,;-3.71,-.44,;-5.05,.33,;-6.38,-.44,;-6.38,-1.98,;-5.05,-2.75,;-5.05,-4.29,;-5.05,1.87,;-3.71,2.64,;-3.71,4.18,;-2.38,4.95,;-1.05,4.18,;-1.05,2.64,;.29,1.87,;1.62,2.64,;1.62,4.18,;.29,4.95,;2.95,1.87,;4.29,2.64,;5.78,2.24,;6.17,3.73,;7.71,3.73,;6.94,5.06,;4.69,4.13,;-5.05,4.95,;-6.38,4.18,;-6.38,2.64,;-7.71,1.87,;.29,-4.29,;1.62,-5.06,;2.95,-4.29,;2.95,-2.75,;1.62,-1.98,)|
Show InChI InChI=1S/C26H35ClFN5O3S/c1-26(8-10-36-11-9-26)16-30-25-22(28)6-7-23(33-25)20-12-24(29-13-21(20)27)32-18-4-2-17(3-5-18)31-19-14-37(34,35)15-19/h6-7,12-13,17-19,31H,2-5,8-11,14-16H2,1H3,(H,29,32)(H,30,33)
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126535
PNG
(US8778951, 346)
Show SMILES CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@@H](CC3)NC3CCS(=O)(=O)CC3)ncc2Cl)CCOCC1 |r,wU:18.22,wD:15.15,(-.1,-1.44,;-.1,-2.98,;-1.44,-2.21,;-2.77,-2.98,;-4.1,-2.21,;-4.1,-.67,;-5.44,.1,;-6.77,-.67,;-6.77,-2.21,;-5.44,-2.98,;-5.44,-4.52,;-5.44,1.64,;-4.1,2.41,;-4.1,3.95,;-2.77,4.72,;-1.44,3.95,;-1.44,2.41,;-.1,1.64,;1.23,2.41,;1.23,3.95,;-.1,4.72,;2.56,1.64,;3.9,2.41,;5.23,1.64,;6.57,2.41,;6.57,3.95,;8.11,3.95,;7.34,5.29,;5.23,4.72,;3.9,3.95,;-5.44,4.72,;-6.77,3.95,;-6.77,2.41,;-8.11,1.64,;-.1,-4.52,;1.23,-5.29,;2.56,-4.52,;2.56,-2.98,;1.23,-2.21,)|
Show InChI InChI=1S/C28H39ClFN5O3S/c1-28(10-12-38-13-11-28)18-32-27-24(30)6-7-25(35-27)22-16-26(31-17-23(22)29)34-20-4-2-19(3-5-20)33-21-8-14-39(36,37)15-9-21/h6-7,16-17,19-21,33H,2-5,8-15,18H2,1H3,(H,31,34)(H,32,35)/t19-,20-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126523
PNG
(US8778951, 334)
Show SMILES CC1(N[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2ccc(F)c(NCC3(C)CCOCC3)n2)OCCO1 |r,wU:6.9,wD:3.2,(4.82,1.15,;4.82,2.69,;3.48,1.93,;2.15,2.69,;2.15,4.23,;.82,5,;-.52,4.23,;-.52,2.69,;.82,1.93,;-1.85,5,;-3.19,4.23,;-3.19,2.69,;-4.52,1.93,;-5.85,2.69,;-7.19,1.93,;-5.85,4.23,;-4.52,5,;-4.52,.38,;-5.85,-.38,;-5.85,-1.93,;-4.52,-2.69,;-4.52,-4.23,;-3.19,-1.93,;-1.85,-2.69,;-.52,-1.93,;.82,-2.69,;.82,-1.15,;.82,-4.23,;2.15,-5,;3.48,-4.23,;3.48,-2.69,;2.15,-1.92,;-3.19,-.38,;6.28,2.22,;7.19,3.47,;6.28,4.71,;4.82,4.23,)|
Show InChI InChI=1S/C27H37ClFN5O3/c1-26(9-11-35-12-10-26)17-31-25-22(29)7-8-23(33-25)20-15-24(30-16-21(20)28)32-18-3-5-19(6-4-18)34-27(2)36-13-14-37-27/h7-8,15-16,18-19,34H,3-6,9-14,17H2,1-2H3,(H,30,32)(H,31,33)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126521
PNG
(US8778951, 332)
Show SMILES CC1(CNc2nc(ccc2F)-c2cc(N[C@H]3CC[C@@H](CC3)NC3CCS(=O)(=O)C3)ncc2Cl)CCOCC1 |r,wU:15.15,wD:18.22,(.15,-1.15,;.15,-2.69,;-1.18,-1.93,;-2.52,-2.69,;-3.85,-1.93,;-3.85,-.38,;-5.19,.38,;-6.52,-.38,;-6.52,-1.93,;-5.19,-2.69,;-5.19,-4.23,;-5.19,1.93,;-3.85,2.69,;-3.85,4.23,;-2.52,5,;-1.18,4.23,;.15,5,;1.48,4.23,;1.48,2.69,;.15,1.93,;-1.18,2.69,;2.82,1.93,;4.15,2.69,;4.15,4.23,;5.61,4.71,;6.52,3.47,;7.85,4.23,;7.85,2.69,;5.61,2.22,;-5.19,5,;-6.52,4.23,;-6.52,2.69,;-7.85,1.93,;.15,-4.23,;1.48,-5,;2.82,-4.23,;2.82,-2.69,;1.48,-1.92,)|
Show InChI InChI=1S/C27H37ClFN5O3S/c1-27(9-11-37-12-10-27)17-31-26-23(29)6-7-24(34-26)21-14-25(30-15-22(21)28)33-19-4-2-18(3-5-19)32-20-8-13-38(35,36)16-20/h6-7,14-15,18-20,32H,2-5,8-13,16-17H2,1H3,(H,30,33)(H,31,34)/t18-,19-,20?
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126520
PNG
(US8778951, 331)
Show SMILES Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NCC2CCS(=O)(=O)CC2)ncc1Cl |r,wU:19.20,wD:22.27,(-6,-4.48,;-6,-2.94,;-7.34,-2.17,;-7.34,-.63,;-6,.14,;-4.67,-.63,;-4.67,-2.17,;-3.33,-2.94,;-2,-2.17,;-.67,-2.94,;-.67,-4.48,;.67,-5.25,;2,-4.48,;2,-2.94,;.67,-2.17,;-6,1.68,;-4.67,2.45,;-4.67,3.99,;-3.33,4.76,;-2,3.99,;-.67,4.76,;.67,3.99,;.67,2.45,;-.67,1.68,;-2,2.45,;2,1.68,;3.33,2.45,;4.67,1.68,;4.67,.14,;6,-.63,;7.34,.14,;8.67,.91,;8.67,-.63,;7.34,1.68,;6,2.45,;-6,4.76,;-7.34,3.99,;-7.34,2.45,;-8.67,1.68,)|
Show InChI InChI=1S/C28H39ClFN5O3S/c29-24-18-32-27(34-22-3-1-21(2-4-22)31-16-20-9-13-39(36,37)14-10-20)15-23(24)26-6-5-25(30)28(35-26)33-17-19-7-11-38-12-8-19/h5-6,15,18-22,31H,1-4,7-14,16-17H2,(H,32,34)(H,33,35)/t21-,22-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126518
PNG
(US8778951, 329)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2CCOC(C)(C)C2)n1 |r,wU:9.12,wD:6.5,3.3,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;4,4.23,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;4,-1.93,;2.67,-1.15,;1.33,-1.92,;-4,-.38,)|
Show InChI InChI=1S/C28H42ClN5O2/c1-19(18-35-4)32-21-8-10-22(11-9-21)33-27-14-23(24(29)17-31-27)25-6-5-7-26(34-25)30-16-20-12-13-36-28(2,3)15-20/h5-7,14,17,19-22,32H,8-13,15-16,18H2,1-4H3,(H,30,34)(H,31,33)/t19-,20?,21-,22-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126517
PNG
(US8778951, 328)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NC[C@H]2CCOC(C)(C)C2)n1 |r,wU:9.12,wD:27.28,6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;3.56,-2.17,;2.23,-1.4,;.89,-2.17,;-4.44,-.63,)|
Show InChI InChI=1S/C28H42ClN5O2/c1-19(18-35-4)32-21-8-10-22(11-9-21)33-27-14-23(24(29)17-31-27)25-6-5-7-26(34-25)30-16-20-12-13-36-28(2,3)15-20/h5-7,14,17,19-22,32H,8-13,15-16,18H2,1-4H3,(H,30,34)(H,31,33)/t19-,20+,21-,22-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126516
PNG
(US8778951, 327)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NC[C@H]2CCCOC2)ccc1Cl |r,wU:6.5,wD:25.26,9.12,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;-.44,1.68,;-1.77,2.45,;-1.77,3.99,;-.44,4.76,;.89,3.99,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
Show InChI InChI=1S/C26H37Cl2N5O2/c1-17(15-34-2)31-19-5-7-20(8-6-19)32-25-12-21(23(28)14-30-25)26-22(27)9-10-24(33-26)29-13-18-4-3-11-35-16-18/h9-10,12,14,17-20,31H,3-8,11,13,15-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,18-,19-,20-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126512
PNG
(US8778951, 323)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NC[C@@H]2CCCOC2)ccc1Cl |r,wU:25.26,6.5,wD:9.12,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;-.44,1.68,;-1.77,2.45,;-1.77,3.99,;-.44,4.76,;.89,3.99,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
Show InChI InChI=1S/C26H37Cl2N5O2/c1-17(15-34-2)31-19-5-7-20(8-6-19)32-25-12-21(23(28)14-30-25)26-22(27)9-10-24(33-26)29-13-18-4-3-11-35-16-18/h9-10,12,14,17-20,31H,3-8,11,13,15-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,18+,19-,20-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126509
PNG
(US8778951, 320)
Show SMILES CC1(C)OC[C@@H](CN[C@H]2CC[C@@H](CC2)Nc2cc(c(Cl)cn2)-c2nc(NCC3CCOCC3)ccc2Cl)O1 |r,wU:11.14,5.5,wD:8.7,(8.24,1.68,;6.91,.91,;8.24,.14,;6,-.34,;4.54,.14,;4.54,1.68,;3.21,2.45,;1.87,1.68,;.54,2.45,;.54,3.99,;-.79,4.76,;-2.13,3.99,;-2.13,2.45,;-.79,1.68,;-3.46,4.76,;-4.8,3.99,;-4.8,2.45,;-6.13,1.68,;-7.46,2.45,;-8.8,1.68,;-7.46,3.99,;-6.13,4.76,;-6.13,.14,;-4.8,-.63,;-4.8,-2.17,;-3.46,-2.94,;-2.13,-2.17,;-.79,-2.94,;-.79,-4.48,;.54,-5.25,;1.87,-4.48,;1.87,-2.94,;.54,-2.17,;-6.13,-2.94,;-7.46,-2.17,;-7.46,-.63,;-8.8,.14,;6,2.15,)|
Show InChI InChI=1S/C28H39Cl2N5O3/c1-28(2)37-17-21(38-28)15-31-19-3-5-20(6-4-19)34-26-13-22(24(30)16-33-26)27-23(29)7-8-25(35-27)32-14-18-9-11-36-12-10-18/h7-8,13,16,18-21,31H,3-6,9-12,14-15,17H2,1-2H3,(H,32,35)(H,33,34)/t19-,20-,21-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126503
PNG
(US8778951, 313)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(F)CCOCC2)n1 |r,wU:4.7,wD:1.0,(5.33,1.93,;4,2.69,;4,4.23,;2.67,5,;1.33,4.23,;1.33,2.69,;2.67,1.93,;,5,;-1.33,4.23,;-1.33,2.69,;-2.67,1.93,;-4,2.69,;-5.33,1.93,;-4,4.23,;-2.67,5,;-2.67,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;1.33,-1.93,;2.67,-2.69,;2.67,-1.15,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,;-1.33,-.38,)|
Show InChI InChI=1S/C22H29ClFN5O/c23-18-13-26-21(28-16-6-4-15(25)5-7-16)12-17(18)19-2-1-3-20(29-19)27-14-22(24)8-10-30-11-9-22/h1-3,12-13,15-16H,4-11,14,25H2,(H,26,28)(H,27,29)/t15-,16-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126504
PNG
(US8778951, 314)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(8,1.92,;6.67,2.69,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
Show InChI InChI=1S/C25H35ClFN5O2/c1-33-13-10-28-18-2-4-19(5-3-18)31-24-14-20(21(26)16-29-24)23-7-6-22(27)25(32-23)30-15-17-8-11-34-12-9-17/h6-7,14,16-19,28H,2-5,8-13,15H2,1H3,(H,29,31)(H,30,32)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126501
PNG
(US8778951, 311)
Show SMILES CC1(CNc2cccc(n2)-c2cc(N[C@H]3CC[C@H](N)CC3)ncc2Cl)CCOCC1 |r,wU:14.14,wD:17.18,(2.67,-1.15,;2.67,-2.69,;1.33,-1.93,;,-2.69,;-1.33,-1.93,;-2.67,-2.69,;-4,-1.93,;-4,-.38,;-2.67,.38,;-1.33,-.38,;-2.67,1.93,;-1.33,2.69,;-1.33,4.23,;,5,;1.33,4.23,;2.67,5,;4,4.23,;4,2.69,;5.33,1.93,;2.67,1.93,;1.33,2.69,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.92,)|
Show InChI InChI=1S/C23H32ClN5O/c1-23(9-11-30-12-10-23)15-27-21-4-2-3-20(29-21)18-13-22(26-14-19(18)24)28-17-7-5-16(25)6-8-17/h2-4,13-14,16-17H,5-12,15,25H2,1H3,(H,26,28)(H,27,29)/t16-,17-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126498
PNG
(US8778951, 308)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(c(NCC2CCOCC2)n1)C(F)(F)F |r,wU:9.12,wD:6.5,3.3,(7.56,2.06,;6.23,2.83,;4.9,2.06,;3.56,2.83,;3.56,4.37,;2.23,2.06,;.89,2.83,;.89,4.37,;-.44,5.14,;-1.77,4.37,;-1.77,2.83,;-.44,2.06,;-3.11,5.14,;-4.44,4.37,;-4.44,2.83,;-5.77,2.06,;-7.11,2.83,;-8.44,2.06,;-7.11,4.37,;-5.77,5.14,;-5.77,.52,;-7.11,-.25,;-7.11,-1.79,;-5.77,-2.56,;-4.44,-1.79,;-3.11,-2.56,;-1.77,-1.79,;-.44,-2.56,;-.44,-4.1,;.89,-4.87,;2.23,-4.1,;2.23,-2.56,;.89,-1.79,;-4.44,-.25,;-5.77,-4.1,;-5.77,-5.64,;-4.23,-4.1,;-7.31,-4.1,)|
Show InChI InChI=1S/C27H37ClF3N5O2/c1-17(16-37-2)34-19-3-5-20(6-4-19)35-25-13-21(23(28)15-32-25)24-8-7-22(27(29,30)31)26(36-24)33-14-18-9-11-38-12-10-18/h7-8,13,15,17-20,34H,3-6,9-12,14,16H2,1-2H3,(H,32,35)(H,33,36)/t17-,19-,20-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126495
PNG
(US8778951, 305)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)OC)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-1.77,-.63,;-4.44,-.63,)|
Show InChI InChI=1S/C27H40ClN5O3/c1-19(17-34-2)31-20-7-9-21(10-8-20)32-26-15-22(23(28)16-29-26)24-5-4-6-25(33-24)30-18-27(35-3)11-13-36-14-12-27/h4-6,15-16,19-21,31H,7-14,17-18H2,1-3H3,(H,29,32)(H,30,33)/t19-,20-,21-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126492
PNG
(US8778951, 302)
Show SMILES FC(F)(F)OCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:11.14,wD:8.7,(8.58,2.45,;7.24,1.68,;7.24,.14,;8.58,.91,;5.91,2.45,;4.58,1.68,;3.24,2.45,;1.91,1.68,;.58,2.45,;.58,3.99,;-.76,4.76,;-2.09,3.99,;-2.09,2.45,;-.76,1.68,;-3.43,4.76,;-4.76,3.99,;-4.76,2.45,;-6.09,1.68,;-7.43,2.45,;-8.76,1.68,;-7.43,3.99,;-6.09,4.76,;-6.09,.14,;-4.76,-.63,;-4.76,-2.17,;-3.43,-2.94,;-2.09,-2.17,;-.76,-2.94,;-.76,-4.48,;.58,-5.25,;1.91,-4.48,;1.91,-2.94,;.58,-2.17,;-6.09,-2.94,;-7.43,-2.17,;-7.43,-.63,;-8.76,.14,)|
Show InChI InChI=1S/C25H32Cl2F3N5O2/c26-20-5-6-22(32-14-16-7-10-36-11-8-16)35-24(20)19-13-23(33-15-21(19)27)34-18-3-1-17(2-4-18)31-9-12-37-25(28,29)30/h5-6,13,15-18,31H,1-4,7-12,14H2,(H,32,35)(H,33,34)/t17-,18-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126489
PNG
(US8778951, 299)
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:18.18,26.28,wD:21.25,(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-/m1/s1
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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
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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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
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-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126484
PNG
(US8778951, 294)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-5.77,-4.48,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-4.44,-.63,)|
Show InChI InChI=1S/C26H37ClFN5O2/c1-17(16-34-2)31-19-3-5-20(6-4-19)32-25-13-21(22(27)15-29-25)24-8-7-23(28)26(33-24)30-14-18-9-11-35-12-10-18/h7-8,13,15,17-20,31H,3-6,9-12,14,16H2,1-2H3,(H,29,32)(H,30,33)/t17-,19-,20-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126483
PNG
(US8778951, 293)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1F |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
Show InChI InChI=1S/C26H37ClFN5O2/c1-17(16-34-2)31-19-3-5-20(6-4-19)32-25-13-21(22(27)15-30-25)26-23(28)7-8-24(33-26)29-14-18-9-11-35-12-10-18/h7-8,13,15,17-20,31H,3-6,9-12,14,16H2,1-2H3,(H,29,33)(H,30,32)/t17-,19-,20-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126481
PNG
(US8778951, 291)
Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Cl |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-4.44,-.63,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-5.77,-2.94,;-7.11,-2.17,;-7.11,-.63,;-8.44,.14,)|
Show InChI InChI=1S/C26H37Cl2N5O2/c1-17(16-34-2)31-19-3-5-20(6-4-19)32-25-13-21(23(28)15-30-25)26-22(27)7-8-24(33-26)29-14-18-9-11-35-12-10-18/h7-8,13,15,17-20,31H,3-6,9-12,14,16H2,1-2H3,(H,29,33)(H,30,32)/t17-,19-,20-/m1/s1
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126476
PNG
(US8778951, 286)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1Br |r,wU:4.7,wD:1.0,(4.82,1.68,;3.49,2.45,;3.49,3.99,;2.16,4.76,;.82,3.99,;.82,2.45,;2.16,1.68,;-.51,4.76,;-1.84,3.99,;-1.84,2.45,;-3.18,1.68,;-4.51,2.45,;-5.84,1.68,;-4.51,3.99,;-3.18,4.76,;-3.18,.14,;-1.84,-.63,;-1.84,-2.17,;-.51,-2.94,;.82,-2.17,;2.16,-2.94,;2.16,-4.48,;3.49,-5.25,;4.82,-4.48,;4.82,-2.94,;3.49,-2.17,;-3.18,-2.94,;-4.51,-2.17,;-4.51,-.63,;-5.84,.14,)|
Show InChI InChI=1S/C22H29BrClN5O/c23-18-5-6-20(26-12-14-7-9-30-10-8-14)29-22(18)17-11-21(27-13-19(17)24)28-16-3-1-15(25)2-4-16/h5-6,11,13-16H,1-4,7-10,12,25H2,(H,26,29)(H,27,28)/t15-,16-
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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
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-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126473
PNG
(US8778951, 283)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1nc(NCC2CCOCC2)ccc1F |r,wU:8.11,wD:5.4,(7.64,1.68,;6.3,2.45,;4.97,1.68,;3.63,2.45,;2.3,1.68,;.97,2.45,;.97,3.99,;-.37,4.76,;-1.7,3.99,;-1.7,2.45,;-.37,1.68,;-3.03,4.76,;-4.37,3.99,;-4.37,2.45,;-5.7,1.68,;-7.04,2.45,;-8.37,1.68,;-7.04,3.99,;-5.7,4.76,;-5.7,.14,;-4.37,-.63,;-4.37,-2.17,;-3.03,-2.94,;-1.7,-2.17,;-.37,-2.94,;-.37,-4.48,;.97,-5.25,;2.3,-4.48,;2.3,-2.94,;.97,-2.17,;-5.7,-2.94,;-7.04,-2.17,;-7.04,-.63,;-8.37,.14,)|
Show InChI InChI=1S/C25H35ClFN5O2/c1-33-13-10-28-18-2-4-19(5-3-18)31-24-14-20(21(26)16-30-24)25-22(27)6-7-23(32-25)29-15-17-8-11-34-12-9-17/h6-7,14,16-19,28H,2-5,8-13,15H2,1H3,(H,29,32)(H,30,31)/t18-,19-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126555
PNG
(US8778951, 366)
Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:8.11,wD:5.4,(6.67,1.93,;5.33,2.69,;4,1.93,;4,.39,;5.33,-.38,;2.67,2.69,;2.67,4.23,;1.33,5,;,4.23,;,2.69,;1.33,1.93,;-1.33,5,;-2.67,4.23,;-2.67,2.69,;-4,1.92,;-5.33,2.69,;-6.67,1.92,;-5.33,4.23,;-4,5,;-4,.38,;-5.33,-.39,;-5.33,-1.93,;-4,-2.7,;-2.67,-1.93,;-1.33,-2.7,;,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;1.33,-1.15,;1.33,.38,;-2.67,-.39,)|
Show InChI InChI=1S/C27H37ClN6O/c1-3-34(4-2)21-10-8-20(9-11-21)32-26-16-22(23(28)17-30-26)24-6-5-7-25(33-24)31-19-27(18-29)12-14-35-15-13-27/h5-7,16-17,20-21H,3-4,8-15,19H2,1-2H3,(H,30,32)(H,31,33)/t20-,21-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126537
PNG
(US8778951, 348)
Show SMILES Clc1ccc(NCC2CCOCC2)nc1-c1cc(NC2CCC(CC2)NC2CCS(=O)(=O)CC2)ncc1Cl |(-8,.23,;-6.67,-.54,;-6.67,-2.08,;-5.33,-2.85,;-4,-2.08,;-2.67,-2.85,;-1.33,-2.08,;,-2.85,;,-4.39,;1.33,-5.16,;2.67,-4.39,;2.67,-2.85,;1.33,-2.08,;-4,-.54,;-5.33,.23,;-5.33,1.77,;-4,2.54,;-4,4.08,;-2.67,4.85,;-1.33,4.08,;-1.33,2.54,;,1.77,;1.33,2.54,;1.33,4.08,;,4.85,;2.67,1.77,;4,2.54,;5.33,1.77,;6.67,2.54,;6.67,4.08,;7.76,5.16,;8,3.31,;5.33,4.85,;4,4.08,;-5.33,4.85,;-6.67,4.08,;-6.67,2.54,;-8,1.77,)|
Show InChI InChI=1S/C27H37Cl2N5O3S/c28-23-5-6-25(30-16-18-7-11-37-12-8-18)34-27(23)22-15-26(31-17-24(22)29)33-20-3-1-19(2-4-20)32-21-9-13-38(35,36)14-10-21/h5-6,15,17-21,32H,1-4,7-14,16H2,(H,30,34)(H,31,33)
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126475
PNG
(US8778951, 285)
Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2C[C@H](C)O[C@H](C)C2)n1 |r,wU:8.11,28.30,31.33,wD:5.4,(8.06,2.44,;6.52,2.44,;5.75,3.77,;4.21,3.77,;3.44,5.11,;1.9,5.11,;1.13,6.44,;-.41,6.44,;-1.18,5.11,;-.41,3.77,;1.13,3.77,;-2.72,5.11,;-4.06,4.34,;-4.06,2.8,;-5.39,2.03,;-6.72,2.8,;-8.06,2.03,;-6.72,4.34,;-5.39,5.11,;-5.39,.49,;-6.72,-.28,;-6.72,-1.82,;-5.39,-2.59,;-4.06,-1.82,;-2.72,-2.59,;-1.39,-1.82,;-.06,-2.59,;-.06,-4.13,;1.28,-4.9,;1.28,-6.44,;2.61,-4.13,;2.61,-2.59,;3.95,-1.82,;1.28,-1.82,;-4.06,-.28,)|
Show InChI InChI=1S/C27H40ClN5O2/c1-18-13-20(14-19(2)35-18)16-30-26-6-4-5-25(33-26)23-15-27(31-17-24(23)28)32-22-9-7-21(8-10-22)29-11-12-34-3/h4-6,15,17-22,29H,7-14,16H2,1-3H3,(H,30,33)(H,31,32)/t18-,19+,20?,21-,22-
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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
Cyclin-T1


(Homo sapiens (Human))
BDBM126513
PNG
(US8778951, 324)
Show SMILES Fc1ccc(nc1NCC1CCOCC1)-c1cc(N[C@H]2CC[C@@H](CC2)NCC2CCO2)ncc1Cl |r,wU:19.20,wD:22.27,(-4.96,-4.48,;-4.96,-2.94,;-6.3,-2.17,;-6.3,-.63,;-4.96,.14,;-3.63,-.63,;-3.63,-2.17,;-2.29,-2.94,;-.96,-2.17,;.37,-2.94,;.37,-4.48,;1.71,-5.25,;3.04,-4.48,;3.04,-2.94,;1.71,-2.17,;-4.96,1.68,;-3.63,2.45,;-3.63,3.99,;-2.29,4.76,;-.96,3.99,;.37,4.76,;1.71,3.99,;1.71,2.45,;.37,1.68,;-.96,2.45,;3.04,1.68,;4.37,2.45,;5.71,1.68,;6.11,.19,;7.59,.59,;7.2,2.07,;-4.96,4.76,;-6.3,3.99,;-6.3,2.45,;-7.63,1.68,)|
Show InChI InChI=1S/C26H35ClFN5O2/c27-22-16-30-25(32-19-3-1-18(2-4-19)29-15-20-9-12-35-20)13-21(22)24-6-5-23(28)26(33-24)31-14-17-7-10-34-11-8-17/h5-6,13,16-20,29H,1-4,7-12,14-15H2,(H,30,32)(H,31,33)/t18-,19-,20?
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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
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