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USPatent US9796708

Compile Data Set for Download or QSAR

Found 1363 hits of Enzyme Inhibition Constant Data   
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/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353376
PNG
(4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]p...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cccnc1 |t:21|
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n/an/a 4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167699
PNG
(US9073922, 186 | US9796708, Example 186)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
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n/an/a 4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353374
PNG
(N-methyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-...)
Show SMILES CNC(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:22|
Show InChI InChI=1S/C20H20N4O/c1-21-20(25)15-4-2-13(3-5-15)16-8-11-23-19-17(16)12-18(24-19)14-6-9-22-10-7-14/h2-6,8,11-12,22H,7,9-10H2,1H3,(H,21,25)(H,23,24)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353253
PNG
(4-(5-fluoro-2-methoxyphenyl)-2-(1,2,5,6-tetrahydro...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCNC1 |t:21|
Show InChI InChI=1S/C19H18FN3O/c1-24-18-5-4-13(20)9-15(18)14-6-8-22-19-16(14)10-17(23-19)12-3-2-7-21-11-12/h3-6,8-10,21H,2,7,11H2,1H3,(H,22,23)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167716
PNG
(US9073922, 203 | US9796708, Example 203)
Show SMILES Fc1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)c1
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n/an/a 8n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167703
PNG
(US9073922, 190 | US9796708, Example 190)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2ccc(cc2)S(C)(=O)=O)ccc1F
Show InChI InChI=1S/C27H29FN4O2S/c1-32-13-10-19(11-14-32)26-16-24-22(9-12-29-27(24)31-26)23-15-20(5-8-25(23)28)30-17-18-3-6-21(7-4-18)35(2,33)34/h3-9,12,15-16,19,30H,10-11,13-14,17H2,1-2H3,(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353195
PNG
(3-[4-(4-{2-fluoro-5-[(3-fluorobenzyl)amino]phenyl}...)
Show SMILES OCC(O)CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cc(NCc2cccc(F)c2)ccc1F
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353138
PNG
(4-fluoro-N-(4-fluorobenzyl)-3-[2-(piperidin-4-yl)-...)
Show SMILES Fc1ccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
Show InChI InChI=1S/C25H24F2N4/c26-18-3-1-16(2-4-18)15-30-19-5-6-23(27)21(13-19)20-9-12-29-25-22(20)14-24(31-25)17-7-10-28-11-8-17/h1-6,9,12-14,17,28,30H,7-8,10-11,15H2,(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167553
PNG
(US9073922, 37 | US9796708, Example 37)
Show SMILES Fc1cncc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Show InChI InChI=1S/C23H22ClFN6/c24-19-1-2-21(29-12-14-9-16(25)13-27-11-14)31-22(19)17-5-8-28-23-18(17)10-20(30-23)15-3-6-26-7-4-15/h1-2,5,8-11,13,15,26H,3-4,6-7,12H2,(H,28,30)(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167602
PNG
(US9073922, 87 | US9796708, Example 87)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
Show InChI InChI=1S/C19H18FN3O/c1-24-18-3-2-13(20)10-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-4,6,9-11,21H,5,7-8H2,1H3,(H,22,23)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353433
PNG
(3-chloro-4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-t...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(c(Cl)c12)C1=CCNCC1 |t:22|
Show InChI InChI=1S/C19H17ClFN3O/c1-25-15-3-2-12(21)10-14(15)13-6-9-23-19-16(13)17(20)18(24-19)11-4-7-22-8-5-11/h2-4,6,9-10,22H,5,7-8H2,1H3,(H,23,24)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167533
PNG
(US9073922, 17 | US9796708, Example 17)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Show InChI InChI=1S/C19H20FN3O/c1-24-18-3-2-13(20)10-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-3,6,9-12,21H,4-5,7-8H2,1H3,(H,22,23)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167719
PNG
(US9073922, 206 | US9796708, Example 206)
Show SMILES Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167538
PNG
(US9073922, 22 | US9796708, Example 22)
Show SMILES COc1cc(F)c(F)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Show InChI InChI=1S/C19H19F2N3O/c1-25-18-10-16(21)15(20)8-13(18)12-4-7-23-19-14(12)9-17(24-19)11-2-5-22-6-3-11/h4,7-11,22H,2-3,5-6H2,1H3,(H,23,24)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167616
PNG
(US9073922, 102 | US9796708, Example 102)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2c(F)cccc2F)n1
Show InChI InChI=1S/C25H25F2N5/c1-32-12-9-16(10-13-32)23-14-18-17(8-11-28-25(18)31-23)22-6-3-7-24(30-22)29-15-19-20(26)4-2-5-21(19)27/h2-8,11,14,16H,9-10,12-13,15H2,1H3,(H,28,31)(H,29,30)
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n/an/a 12n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353375
PNG
(5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]p...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCCN(C1)C(=O)N(C)C |t:21|
Show InChI InChI=1S/C22H23FN4O2/c1-26(2)22(28)27-10-4-5-14(13-27)19-12-18-16(8-9-24-21(18)25-19)17-11-15(23)6-7-20(17)29-3/h5-9,11-12H,4,10,13H2,1-3H3,(H,24,25)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167659
PNG
(US9073922, 146 | US9796708, Example 146)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CNC1
Show InChI InChI=1S/C17H16FN3O/c1-22-16-3-2-11(18)6-13(16)12-4-5-20-17-14(12)7-15(21-17)10-8-19-9-10/h2-7,10,19H,8-9H2,1H3,(H,20,21)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167619
PNG
(US9073922, 105 | US9796708, Example 105)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccc3OCOc3c2)n1
Show InChI InChI=1S/C26H27N5O2/c1-31-11-8-18(9-12-31)22-14-20-19(7-10-27-26(20)30-22)21-3-2-4-25(29-21)28-15-17-5-6-23-24(13-17)33-16-32-23/h2-7,10,13-14,18H,8-9,11-12,15-16H2,1H3,(H,27,30)(H,28,29)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353767
PNG
(2-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(=O)N2CC(CO)C2)CC1 |t:21|
Show InChI InChI=1S/C25H27FN4O3/c1-33-23-3-2-18(26)10-20(23)19-4-7-27-25-21(19)11-22(28-25)17-5-8-29(9-6-17)14-24(32)30-12-16(13-30)15-31/h2-5,7,10-11,16,31H,6,8-9,12-15H2,1H3,(H,27,28)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167611
PNG
(US9073922, 97 | US9796708, Example 97)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccc(Cl)c2)n1
Show InChI InChI=1S/C25H26ClN5/c1-31-12-9-18(10-13-31)23-15-21-20(8-11-27-25(21)30-23)22-6-3-7-24(29-22)28-16-17-4-2-5-19(26)14-17/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3,(H,27,30)(H,28,29)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353124
PNG
(4-fluoro-N-[4-(methylsulfonyl)benzyl]-3-[2-(piperi...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
Show InChI InChI=1S/C26H27FN4O2S/c1-34(32,33)20-5-2-17(3-6-20)16-30-19-4-7-24(27)22(14-19)21-10-13-29-26-23(21)15-25(31-26)18-8-11-28-12-9-18/h2-7,10,13-15,18,28,30H,8-9,11-12,16H2,1H3,(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167567
PNG
(US9073922, 52 | US9796708, Example 52)
Show SMILES Clc1cnc(NCc2ccccc2)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Show InChI InChI=1S/C24H24ClN5/c25-21-15-29-23(28-14-16-4-2-1-3-5-16)13-19(21)18-8-11-27-24-20(18)12-22(30-24)17-6-9-26-10-7-17/h1-5,8,11-13,15,17,26H,6-7,9-10,14H2,(H,27,30)(H,28,29)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353113
PNG
(N-benzyl-2,4-difluoro-5-[2-(piperidin-4-yl)-1H-pyr...)
Show SMILES Fc1cc(F)c(cc1NCc1ccccc1)-c1ccnc2[nH]c(cc12)C1CCNCC1
Show InChI InChI=1S/C25H24F2N4/c26-21-14-22(27)24(30-15-16-4-2-1-3-5-16)12-19(21)18-8-11-29-25-20(18)13-23(31-25)17-6-9-28-10-7-17/h1-5,8,11-14,17,28,30H,6-7,9-10,15H2,(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167642
PNG
(US9073922, 129 | US9796708, Example 129)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCN(CCCN)C1
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167626
PNG
(US9073922, 112 | US9796708, Example 112)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(Cc2cccnc2)C1
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167520
PNG
(US9073922, 4 | US9796708, Example 4)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCCNC1
Show InChI InChI=1S/C19H20FN3O/c1-24-18-5-4-13(20)9-15(18)14-6-8-22-19-16(14)10-17(23-19)12-3-2-7-21-11-12/h4-6,8-10,12,21H,2-3,7,11H2,1H3,(H,22,23)/t12-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353142
PNG
(4-fluoro-N-[3-(methylsulfonyl)benzyl]-3-[2-(piperi...)
Show SMILES CS(=O)(=O)c1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Show InChI InChI=1S/C26H27FN4O2S/c1-34(32,33)20-4-2-3-17(13-20)16-30-19-5-6-24(27)22(14-19)21-9-12-29-26-23(21)15-25(31-26)18-7-10-28-11-8-18/h2-6,9,12-15,18,28,30H,7-8,10-11,16H2,1H3,(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167571
PNG
(US9073922, 56 | US9796708, Example 56)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2ccccc2)n1
Show InChI InChI=1S/C25H27N5/c1-30-14-11-19(12-15-30)23-16-21-20(10-13-26-25(21)29-23)22-8-5-9-24(28-22)27-17-18-6-3-2-4-7-18/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,26,29)(H,27,28)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167572
PNG
(US9073922, 57 | US9796708, Example 57)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1nc(NCc2cccc(F)c2)ccc1Cl
Show InChI InChI=1S/C25H25ClFN5/c1-32-11-8-17(9-12-32)22-14-20-19(7-10-28-25(20)30-22)24-21(26)5-6-23(31-24)29-15-16-3-2-4-18(27)13-16/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3,(H,28,30)(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353139
PNG
(4-[({4-fluoro-3-[2-(piperidin-4-yl)-1H-pyrrolo[2,3...)
Show SMILES NS(=O)(=O)c1ccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)cc1
Show InChI InChI=1S/C25H26FN5O2S/c26-23-6-3-18(30-15-16-1-4-19(5-2-16)34(27,32)33)13-21(23)20-9-12-29-25-22(20)14-24(31-25)17-7-10-28-11-8-17/h1-6,9,12-14,17,28,30H,7-8,10-11,15H2,(H,29,31)(H2,27,32,33)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167549
PNG
(US9073922, 33 | US9796708, Example 33)
Show SMILES Fc1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Show InChI InChI=1S/C24H23ClFN5/c25-20-4-5-22(29-14-15-2-1-3-17(26)12-15)31-23(20)18-8-11-28-24-19(18)13-21(30-24)16-6-9-27-10-7-16/h1-5,8,11-13,16,27H,6-7,9-10,14H2,(H,28,30)(H,29,31)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167669
PNG
(US9073922, 156 | US9796708, Example 156)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cc[nH]n2)n1
Show InChI InChI=1S/C22H25N7/c1-29-11-7-15(8-12-29)20-13-18-17(6-9-23-22(18)27-20)19-3-2-4-21(26-19)24-14-16-5-10-25-28-16/h2-6,9-10,13,15H,7-8,11-12,14H2,1H3,(H,23,27)(H,24,26)(H,25,28)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167577
PNG
(US9073922, 62 | US9796708, Example 62)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)[C@@H]1CCNC1
Show InChI InChI=1S/C18H18FN3O/c1-23-17-3-2-12(19)8-14(17)13-5-7-21-18-15(13)9-16(22-18)11-4-6-20-10-11/h2-3,5,7-9,11,20H,4,6,10H2,1H3,(H,21,22)/t11-/m1/s1
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353377
PNG
(4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]p...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)C(N)=O |t:21|
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167517
PNG
(US9073922, 1 | US9796708, Example 1)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCCNC1
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353095
PNG
(2-(2,5-dihydro-1H-pyrrol-3-yl)-4-(5-fluoro-2-metho...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCNC1 |t:21|
Show InChI InChI=1S/C18H16FN3O/c1-23-17-3-2-12(19)8-14(17)13-5-7-21-18-15(13)9-16(22-18)11-4-6-20-10-11/h2-5,7-9,20H,6,10H2,1H3,(H,21,22)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353426
PNG
(4-(4-fluoro-2-methoxyphenyl)-2-(1,2,3,6-tetrahydro...)
Show SMILES COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1=CCNCC1 |t:21|
Show InChI InChI=1S/C19H18FN3O/c1-24-18-10-13(20)2-3-15(18)14-6-9-22-19-16(14)11-17(23-19)12-4-7-21-8-5-12/h2-4,6,9-11,21H,5,7-8H2,1H3,(H,22,23)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167574
PNG
(US9073922, 59 | US9796708, Example 59)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCNC1
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167723
PNG
(US9073922, 210 | US9796708, Example 210)
Show SMILES Fc1cncc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCCNC2)c1
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353140
PNG
(3-[({4-fluoro-3-[2-(piperidin-4-yl)-1H-pyrrolo[2,3...)
Show SMILES Oc1cccc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Show InChI InChI=1S/C25H25FN4O/c26-23-5-4-18(29-15-16-2-1-3-19(31)12-16)13-21(23)20-8-11-28-25-22(20)14-24(30-25)17-6-9-27-10-7-17/h1-5,8,11-14,17,27,29,31H,6-7,9-10,15H2,(H,28,30)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167663
PNG
(US9073922, 150 | US9796708, Example 150)
Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCc2ccccc2)n1
Show InChI InChI=1S/C26H29N5/c1-31-16-12-20(13-17-31)24-18-22-21(11-15-28-26(22)30-24)23-8-5-9-25(29-23)27-14-10-19-6-3-2-4-7-19/h2-9,11,15,18,20H,10,12-14,16-17H2,1H3,(H,27,29)(H,28,30)
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n/an/a 17n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353389
PNG
(3-bromo-4-(5-fluoro-2-methoxyphenyl)-2-(1,2,3,6-te...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(c(Br)c12)C1=CCNCC1 |t:22|
Show InChI InChI=1S/C19H17BrFN3O/c1-25-15-3-2-12(21)10-14(15)13-6-9-23-19-16(13)17(20)18(24-19)11-4-7-22-8-5-11/h2-4,6,9-10,22H,5,7-8H2,1H3,(H,23,24)
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n/an/a 17n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167544
PNG
(US9073922, 28 | US9796708, Example 28)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(C)CC1
Show InChI InChI=1S/C20H22FN3O/c1-24-9-6-13(7-10-24)18-12-17-15(5-8-22-20(17)23-18)16-11-14(21)3-4-19(16)25-2/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23)
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n/an/a 17n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167552
PNG
(US9073922, 36 | US9796708, Example 36)
Show SMILES Fc1ccc(F)c(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
Show InChI InChI=1S/C24H22ClF2N5/c25-19-2-4-22(30-13-15-11-16(26)1-3-20(15)27)32-23(19)17-7-10-29-24-18(17)12-21(31-24)14-5-8-28-9-6-14/h1-4,7,10-12,14,28H,5-6,8-9,13H2,(H,29,31)(H,30,32)
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n/an/a 17n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353252
PNG
(N-(3,5-difluorobenzyl)-4-fluoro-3-[2-(1,2,3,6-tetr...)
Show SMILES Fc1cc(F)cc(CNc2ccc(F)c(c2)-c2ccnc3[nH]c(cc23)C2=CCNCC2)c1 |t:28|
Show InChI InChI=1S/C25H21F3N4/c26-17-9-15(10-18(27)11-17)14-31-19-1-2-23(28)21(12-19)20-5-8-30-25-22(20)13-24(32-25)16-3-6-29-7-4-16/h1-3,5,8-13,29,31H,4,6-7,14H2,(H,30,32)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353439
PNG
(4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]p...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cncnc1 |t:21|
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n/an/a 17n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353212
PNG
(5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(piperidin...)
Show SMILES COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1CCNCC1 |(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,1.51,;-5.02,1.51,;-5.79,2.84,;-5.02,4.18,;-3.48,4.18,)|
Show InChI InChI=1S/C19H19F2N3O/c1-25-17-3-2-12(20)8-13(17)18-14-9-16(11-4-6-22-7-5-11)24-19(14)23-10-15(18)21/h2-3,8-11,22H,4-7H2,1H3,(H,23,24)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM353438
PNG
(4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]p...)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCC(CC1)NCc1cnccn1 |t:21|
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167591
PNG
(US9073922, 76 | US9796708, Example 76)
Show SMILES COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)c(C)c12
Show InChI InChI=1S/C20H22FN3O/c1-12-18-15(16-11-14(21)3-4-17(16)25-2)7-10-23-20(18)24-19(12)13-5-8-22-9-6-13/h3-4,7,10-11,13,22H,5-6,8-9H2,1-2H3,(H,23,24)
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n/an/a 17n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM167550
PNG
(US9073922, 34 | US9796708, Example 34)
Show SMILES Clc1ccc(NCc2cccnc2)nc1-c1ccnc2[nH]c(cc12)C1CCNCC1
Show InChI InChI=1S/C23H23ClN6/c24-19-3-4-21(28-14-15-2-1-8-26-13-15)30-22(19)17-7-11-27-23-18(17)12-20(29-23)16-5-9-25-10-6-16/h1-4,7-8,11-13,16,25H,5-6,9-10,14H2,(H,27,29)(H,28,30)
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AbbVie Inc.

US Patent


Assay Description
CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...

US Patent US9796708 (2017)


BindingDB Entry DOI: 10.7270/Q2WD42P4
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%