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USPatent US9650358

Compile Data Set for Download or QSAR

Found 339 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-dependent kinase 9


(Homo sapiens (Human))		BDBM307799
PNG
(5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-y...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCNCC3)ncc2Cl)c1
Show InChI InChI=1S/C26H27ClFN5/c27-23-15-31-26(30-11-8-18-6-9-29-10-7-18)14-22(23)20-4-5-24-25(13-20)33(17-32-24)16-19-2-1-3-21(28)12-19/h1-5,12-15,17-18,29H,6-11,16H2,(H,30,31)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307733
PNG
( (3R)-N-[4-(1-benzyl-3-benzyl-3-cyano-1H-indol-6-y...)
Show SMILES Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2c(c1)N(Cc1ccccc1)CC2(Cc1ccccc1)C#N
Show InChI InChI=1S/C34H32ClN5O/c35-30-20-38-32(39-33(41)27-12-7-15-37-19-27)17-28(30)26-13-14-29-31(16-26)40(21-25-10-5-2-6-11-25)23-34(29,22-36)18-24-8-3-1-4-9-24/h1-6,8-11,13-14,16-17,20,27,37H,7,12,15,18-19,21,23H2,(H,38,39,41)/t27-,34?/m1/s1
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307722
PNG
( (3R)-N-(5-chloro-4-{1-[2-(3-fluorophenyl)ethyl]-1...)
Show SMILES Fc1cccc(CCn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C26H25ClFN5O/c27-22-15-30-25(32-26(34)19-4-2-9-29-14-19)13-21(22)18-6-7-23-24(12-18)33(16-31-23)10-8-17-3-1-5-20(28)11-17/h1,3,5-7,11-13,15-16,19,29H,2,4,8-10,14H2,(H,30,32,34)/t19-/m1/s1
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n/an/a 13n/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307737
PNG
( (3R)-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-pyrrolo...)
Show SMILES Fc1cccc(Cn2ccc3ncc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C25H23ClFN5O/c26-21-14-30-24(31-25(33)17-4-2-7-28-12-17)11-20(21)18-10-23-22(29-13-18)6-8-32(23)15-16-3-1-5-19(27)9-16/h1,3,5-6,8-11,13-14,17,28H,2,4,7,12,15H2,(H,30,31,33)/t17-/m1/s1
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n/an/a 14n/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307916
PNG
((2s,4r)-tert-butyl 2-(5-chloro-4-(1-(3-fluorobenzy...)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CC(C2)Nc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)C1 |(17.22,16.33,;16.6,14.92,;15.19,15.54,;18,14.29,;15.97,13.51,;14.44,13.35,;13.53,14.6,;13.81,11.94,;14.58,10.61,;13.55,9.47,;12.14,10.09,;10.66,10.49,;10.26,9,;11.75,8.6,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,;12.31,11.62,)|
Show InChI InChI=1S/C31H33ClFN5O2/c1-30(2,3)40-29(39)37-10-9-31(18-37)14-23(15-31)36-28-13-24(25(32)16-34-28)21-7-8-26-27(12-21)38(19-35-26)17-20-5-4-6-22(33)11-20/h4-8,11-13,16,19,23H,9-10,14-15,17-18H2,1-3H3,(H,34,36)
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n/an/a 14n/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307797
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES CNCCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C24H25ClFN5/c1-27-9-2-3-10-28-24-13-20(21(25)14-29-24)18-7-8-22-23(12-18)31(16-30-22)15-17-5-4-6-19(26)11-17/h4-8,11-14,16,27H,2-3,9-10,15H2,1H3,(H,28,29)
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n/an/a 14n/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307721
PNG
( (3R)-N-{5-chloro-4-[1-(3,4-difluorobenzyl)-1H-ben...)
Show SMILES Fc1ccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1F
Show InChI InChI=1S/C25H22ClF2N5O/c26-19-12-30-24(32-25(34)17-2-1-7-29-11-17)10-18(19)16-4-6-22-23(9-16)33(14-31-22)13-15-3-5-20(27)21(28)8-15/h3-6,8-10,12,14,17,29H,1-2,7,11,13H2,(H,30,32,34)/t17-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307908
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CC4NC(=O)OC4C3)ncc2Cl)c1
Show InChI InChI=1S/C26H21ClFN5O3/c27-19-11-29-24(32-25(34)16-7-21-23(9-16)36-26(35)31-21)10-18(19)15-4-5-20-22(8-15)33(13-30-20)12-14-2-1-3-17(28)6-14/h1-6,8,10-11,13,16,21,23H,7,9,12H2,(H,31,35)(H,29,32,34)
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n/an/a 16n/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307882
PNG
( (3R)-N-[5-chloro-4-(1-{[3-(pyrrolidin-1-yl)oxetan...)
Show SMILES Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(CC3(COC3)N3CCCC3)c2c1
Show InChI InChI=1S/C26H31ClN6O2/c27-21-13-29-24(31-25(34)19-4-3-7-28-12-19)11-20(21)18-5-6-22-23(10-18)32(17-30-22)14-26(15-35-16-26)33-8-1-2-9-33/h5-6,10-11,13,17,19,28H,1-4,7-9,12,14-16H2,(H,29,31,34)/t19-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307725
PNG
((3R)-N-{5-chloro-4-[1-(2-fluorobenzyl)-1H-benzimid...)
Show SMILES Fc1ccccc1Cn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C25H23ClFN5O/c26-20-13-29-24(31-25(33)17-5-3-9-28-12-17)11-19(20)16-7-8-22-23(10-16)32(15-30-22)14-18-4-1-2-6-21(18)27/h1-2,4,6-8,10-11,13,15,17,28H,3,5,9,12,14H2,(H,29,31,33)/t17-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307778
PNG
( N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol...)
Show SMILES NCCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C23H23ClFN5/c24-20-13-28-23(27-9-2-1-8-26)12-19(20)17-6-7-21-22(11-17)30(15-29-21)14-16-4-3-5-18(25)10-16/h3-7,10-13,15H,1-2,8-9,14,26H2,(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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307748
PNG
( 5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-...)
Show SMILES CN1CCC(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CC1
Show InChI InChI=1S/C27H29ClFN5/c1-33-11-8-19(9-12-33)7-10-30-27-15-23(24(28)16-31-27)21-5-6-25-26(14-21)34(18-32-25)17-20-3-2-4-22(29)13-20/h2-6,13-16,18-19H,7-12,17H2,1H3,(H,30,31)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307848
PNG
( (3R)-N-(5-chloro-4-{1-[(1R)-1-(3-fluorophenyl)eth...)
Show SMILES C[C@H](c1cccc(F)c1)n1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C26H25ClFN5O/c1-16(17-4-2-6-20(28)10-17)33-15-31-23-8-7-18(11-24(23)33)21-12-25(30-14-22(21)27)32-26(34)19-5-3-9-29-13-19/h2,4,6-8,10-12,14-16,19,29H,3,5,9,13H2,1H3,(H,30,32,34)/t16-,19-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307763
PNG
( 4-({5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazo...)
Show SMILES CC(C)(O)CCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C24H24ClFN4O/c1-24(2,31)8-9-27-23-12-19(20(25)13-28-23)17-6-7-21-22(11-17)30(15-29-21)14-16-4-3-5-18(26)10-16/h3-7,10-13,15,31H,8-9,14H2,1-2H3,(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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307813
PNG
(BDBM307917 | N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.55,9.47,;14.58,10.61,;13.81,11.94,;12.31,11.62,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
Show InChI InChI=1S/C26H25ClFN5/c27-22-13-30-25(32-20-11-26(12-20)6-7-29-15-26)10-21(22)18-4-5-23-24(9-18)33(16-31-23)14-17-2-1-3-19(28)8-17/h1-5,8-10,13,16,20,29H,6-7,11-12,14-15H2,(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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307720
PNG
( (3R)-N-{5-chloro-4-[1-(4-fluorobenzyl)-1H-benzimi...)
Show SMILES Fc1ccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
Show InChI InChI=1S/C25H23ClFN5O/c26-21-13-29-24(31-25(33)18-2-1-9-28-12-18)11-20(21)17-5-8-22-23(10-17)32(15-30-22)14-16-3-6-19(27)7-4-16/h3-8,10-11,13,15,18,28H,1-2,9,12,14H2,(H,29,31,33)/t18-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307818
PNG
( (3R)-N-{5-chloro-4-[1-(3,4-difluorobenzyl)-1H-ben...)
Show SMILES Fc1ccc(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1F
Show InChI InChI=1S/C24H21ClF2N6O/c25-18-12-29-23(30-24(34)16-2-1-7-28-11-16)10-17(18)15-4-6-21-22(9-15)33(32-31-21)13-14-3-5-19(26)20(27)8-14/h3-6,8-10,12,16,28H,1-2,7,11,13H2,(H,29,30,34)/t16-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM308023
PNG
( (3R)-N-{5-chloro-4-[1-(3-fluorobenzyl)-5-methoxy-...)
Show SMILES COc1cc2ncn(Cc3cccc(F)c3)c2cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C26H25ClFN5O2/c1-35-24-11-22-23(33(15-31-22)14-16-4-2-6-18(28)8-16)9-20(24)19-10-25(30-13-21(19)27)32-26(34)17-5-3-7-29-12-17/h2,4,6,8-11,13,15,17,29H,3,5,7,12,14H2,1H3,(H,30,32,34)/t17-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307982
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES NS(=O)(=O)CC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C21H17ClFN5O3S/c22-17-9-25-20(27-21(29)11-32(24,30)31)8-16(17)14-4-5-18-19(7-14)28(12-26-18)10-13-2-1-3-15(23)6-13/h1-9,12H,10-11H2,(H2,24,30,31)(H,25,27,29)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307817
PNG
( (3R)-N-{5-chloro-4-[1-(4-fluorobenzyl)-1H-benzotr...)
Show SMILES Fc1ccc(Cn2nnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)cc1
Show InChI InChI=1S/C24H22ClFN6O/c25-20-13-28-23(29-24(33)17-2-1-9-27-12-17)11-19(20)16-5-8-21-22(10-16)32(31-30-21)14-15-3-6-18(26)7-4-15/h3-8,10-11,13,17,27H,1-2,9,12,14H2,(H,28,29,33)/t17-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307888
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES CS(=O)(=O)CC(=O)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C22H18ClFN4O3S/c1-32(30,31)12-22(29)27-21-9-17(18(23)10-25-21)15-5-6-19-20(8-15)28(13-26-19)11-14-3-2-4-16(24)7-14/h2-10,13H,11-12H2,1H3,(H,25,27,29)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307808
PNG
(BDBM307918 | BDBM307919 | N-{5-chloro-4-[1-(3-fluo...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.48,9.32,;14.81,10.09,;14.81,11.63,;13.48,12.4,;12.14,11.63,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
Show InChI InChI=1S/C27H27ClFN5/c28-23-14-31-26(33-21-12-27(13-21)7-2-8-30-16-27)11-22(23)19-5-6-24-25(10-19)34(17-32-24)15-18-3-1-4-20(29)9-18/h1,3-6,9-11,14,17,21,30H,2,7-8,12-13,15-16H2,(H,31,33)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307984
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@H]3CCC(=O)N3)ncc2Cl)c1
Show InChI InChI=1S/C24H19ClFN5O2/c25-18-11-27-22(30-24(33)20-6-7-23(32)29-20)10-17(18)15-4-5-19-21(9-15)31(13-28-19)12-14-2-1-3-16(26)8-14/h1-5,8-11,13,20H,6-7,12H2,(H,29,32)(H,27,30,33)/t20-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307772
PNG
(2-({5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol...)
Show SMILES OCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C21H18ClFN4O/c22-18-11-25-21(24-6-7-28)10-17(18)15-4-5-19-20(9-15)27(13-26-19)12-14-2-1-3-16(23)8-14/h1-5,8-11,13,28H,6-7,12H2,(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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307880
PNG
( N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-imidazo[4,5-...)
Show SMILES Fc1cccc(Cn2cnc3ncc(cc23)-c2cc(NC(=O)C3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C24H22ClFN6O/c25-20-12-28-22(31-24(33)16-4-2-6-27-10-16)9-19(20)17-8-21-23(29-11-17)30-14-32(21)13-15-3-1-5-18(26)7-15/h1,3,5,7-9,11-12,14,16,27H,2,4,6,10,13H2,(H,28,31,33)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307838
PNG
( (3R)-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-pyrrolo...)
Show SMILES Fc1cccc(Cn2ccc3ccc(nc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C25H23ClFN5O/c26-21-14-29-23(31-25(33)18-4-2-9-28-13-18)12-20(21)22-7-6-17-8-10-32(24(17)30-22)15-16-3-1-5-19(27)11-16/h1,3,5-8,10-12,14,18,28H,2,4,9,13,15H2,(H,29,31,33)/t18-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307698
PNG
( (3R)-N-{5-chloro-4-[1-(3-fluorobenzyl)-2,3-dihydr...)
Show SMILES Fc1cccc(CN2CCc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C26H26ClFN4O/c27-23-15-30-25(31-26(33)20-4-2-9-29-14-20)13-22(23)19-7-6-18-8-10-32(24(18)12-19)16-17-3-1-5-21(28)11-17/h1,3,5-7,11-13,15,20,29H,2,4,8-10,14,16H2,(H,30,31,33)/t20-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM308016
PNG
( (3R)—N-(5-chloro-4-{1-[3-(3-fluorophenyl)pro...)
Show SMILES Fc1cccc(CCCn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C27H27ClFN5O/c28-23-16-31-26(33-27(35)20-6-2-10-30-15-20)14-22(23)19-8-9-24-25(13-19)34(17-32-24)11-3-5-18-4-1-7-21(29)12-18/h1,4,7-9,12-14,16-17,20,30H,2-3,5-6,10-11,15H2,(H,31,33,35)/t20-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307839
PNG
( (3R)-N-{5-chloro-4-[5-fluoro-1-(3-fluorobenzyl)-1...)
Show SMILES Fc1cccc(Cn2cnc3cc(F)c(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C25H22ClF2N5O/c26-20-12-30-24(32-25(34)16-4-2-6-29-11-16)9-18(20)19-8-23-22(10-21(19)28)31-14-33(23)13-15-3-1-5-17(27)7-15/h1,3,5,7-10,12,14,16,29H,2,4,6,11,13H2,(H,30,32,34)/t16-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307953
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-pyrrolo[3,2-b...)
Show SMILES Fc1cccc(Cn2ccc3ncc(cc23)-c2cc(NC3CC4(C3)CCNC4)ncc2Cl)c1
Show InChI InChI=1S/C26H25ClFN5/c27-22-14-31-25(32-20-11-26(12-20)5-6-29-16-26)10-21(22)18-9-24-23(30-13-18)4-7-33(24)15-17-2-1-3-19(28)8-17/h1-4,7-10,13-14,20,29H,5-6,11-12,15-16H2,(H,31,32)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307833
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)CC3CCNCC3)ncc2Cl)c1
Show InChI InChI=1S/C26H25ClFN5O/c27-22-14-30-25(32-26(34)11-17-6-8-29-9-7-17)13-21(22)19-4-5-23-24(12-19)33(16-31-23)15-18-2-1-3-20(28)10-18/h1-5,10,12-14,16-17,29H,6-9,11,15H2,(H,30,32,34)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307893
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CC(=O)C3)ncc2Cl)c1
Show InChI InChI=1S/C24H18ClFN4O2/c25-20-11-27-23(29-24(32)16-7-18(31)8-16)10-19(20)15-4-5-21-22(9-15)30(13-28-21)12-14-2-1-3-17(26)6-14/h1-6,9-11,13,16H,7-8,12H2,(H,27,29,32)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM308028
PNG
( (3R)-N-{5-chloro-4-[1-(thiophen-2-ylmethyl)-1H-be...)
Show SMILES Clc1cnc(NC(=O)[C@@H]2CCCNC2)cc1-c1ccc2ncn(Cc3cccs3)c2c1
Show InChI InChI=1S/C23H22ClN5OS/c24-19-12-26-22(28-23(30)16-3-1-7-25-11-16)10-18(19)15-5-6-20-21(9-15)29(14-27-20)13-17-4-2-8-31-17/h2,4-6,8-10,12,14,16,25H,1,3,7,11,13H2,(H,26,28,30)/t16-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307710
PNG
((3R)-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimid...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)[C@@H]3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C25H23ClFN5O/c26-21-13-29-24(31-25(33)18-4-2-8-28-12-18)11-20(21)17-6-7-22-23(10-17)32(15-30-22)14-16-3-1-5-19(27)9-16/h1,3,5-7,9-11,13,15,18,28H,2,4,8,12,14H2,(H,29,31,33)/t18-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307745
PNG
(5-chloro-N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-[1-(...)
Show SMILES CCN1CCC(CCNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CC1
Show InChI InChI=1S/C28H31ClFN5/c1-2-34-12-9-20(10-13-34)8-11-31-28-16-24(25(29)17-32-28)22-6-7-26-27(15-22)35(19-33-26)18-21-4-3-5-23(30)14-21/h3-7,14-17,19-20H,2,8-13,18H2,1H3,(H,31,32)
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n/an/a 28n/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307760
PNG
(5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-y...)
Show SMILES CN1CCC(CNc2cc(c(Cl)cn2)-c2ccc3ncn(Cc4cccc(F)c4)c3c2)CC1
Show InChI InChI=1S/C26H27ClFN5/c1-32-9-7-18(8-10-32)14-29-26-13-22(23(27)15-30-26)20-5-6-24-25(12-20)33(17-31-24)16-19-3-2-4-21(28)11-19/h2-6,11-13,15,17-18H,7-10,14,16H2,1H3,(H,29,30)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307846
PNG
((3R)-N-{5-chloro-4-[1-(3-fluorobenzyl)-2-methyl-1H...)
Show SMILES Cc1nc2ccc(cc2n1Cc1cccc(F)c1)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C26H25ClFN5O/c1-16-31-23-8-7-18(11-24(23)33(16)15-17-4-2-6-20(28)10-17)21-12-25(30-14-22(21)27)32-26(34)19-5-3-9-29-13-19/h2,4,6-8,10-12,14,19,29H,3,5,9,13,15H2,1H3,(H,30,32,34)/t19-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307980
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CCc4nccn4C3)ncc2Cl)c1
Show InChI InChI=1S/C27H22ClFN6O/c28-22-13-31-25(33-27(36)19-5-7-26-30-8-9-34(26)15-19)12-21(22)18-4-6-23-24(11-18)35(16-32-23)14-17-2-1-3-20(29)10-17/h1-4,6,8-13,16,19H,5,7,14-15H2,(H,31,33,36)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307806
PNG
(5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-y...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCCN3)ncc2Cl)c1
Show InChI InChI=1S/C25H25ClFN5/c26-22-14-30-25(29-10-8-20-5-2-9-28-20)13-21(22)18-6-7-23-24(12-18)32(16-31-23)15-17-3-1-4-19(27)11-17/h1,3-4,6-7,11-14,16,20,28H,2,5,8-10,15H2,(H,29,30)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307894
PNG
( N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC(=O)C3CC4(C3)CC(=O)C4)ncc2Cl)c1
Show InChI InChI=1S/C27H22ClFN4O2/c28-22-13-30-25(32-26(35)18-9-27(10-18)11-20(34)12-27)8-21(22)17-4-5-23-24(7-17)33(15-31-23)14-16-2-1-3-19(29)6-16/h1-8,13,15,18H,9-12,14H2,(H,30,32,35)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307808
PNG
(BDBM307918 | BDBM307919 | N-{5-chloro-4-[1-(3-fluo...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.48,9.32,;14.81,10.09,;14.81,11.63,;13.48,12.4,;12.14,11.63,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
Show InChI InChI=1S/C27H27ClFN5/c28-23-14-31-26(33-21-12-27(13-21)7-2-8-30-16-27)11-22(23)19-5-6-24-25(10-19)34(17-32-24)15-18-3-1-4-20(29)9-18/h1,3-6,9-11,14,17,21,30H,2,7-8,12-13,15-16H2,(H,31,33)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307715
PNG
( trans-4-({5-chloro-4-[1-(3-fluorobenzyl)-1H-benzi...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1 |r,wU:1.0,wD:4.7,(14.26,11.31,;12.93,10.54,;12.93,9,;11.59,8.23,;10.26,9,;10.26,10.54,;11.59,11.31,;8.92,8.23,;8.92,6.69,;7.59,5.92,;7.59,4.38,;8.92,3.61,;8.92,2.07,;10.26,4.38,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.22,2.84,;2.13,4.09,;1.65,5.55,;2.68,6.7,;4.19,6.38,;5.22,7.52,;4.74,8.99,;3.23,9.31,;2.76,10.77,;2.2,8.16,;3.59,3.61,;4.92,4.38,)|
Show InChI InChI=1S/C25H24ClFN4O/c26-22-13-28-25(30-19-5-7-20(32)8-6-19)12-21(22)17-4-9-23-24(11-17)31(15-29-23)14-16-2-1-3-18(27)10-16/h1-4,9-13,15,19-20,32H,5-8,14H2,(H,28,30)/t19-,20-
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307800
PNG
( 5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NCCC3CCCNC3)ncc2Cl)c1
Show InChI InChI=1S/C26H27ClFN5/c27-23-15-31-26(30-10-8-18-4-2-9-29-14-18)13-22(23)20-6-7-24-25(12-20)33(17-32-24)16-19-3-1-5-21(28)11-19/h1,3,5-7,11-13,15,17-18,29H,2,4,8-10,14,16H2,(H,30,31)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307759
PNG
( N′-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzi...)
Show SMILES CN(C)CCCCNc1cc(c(Cl)cn1)-c1ccc2ncn(Cc3cccc(F)c3)c2c1
Show InChI InChI=1S/C25H27ClFN5/c1-31(2)11-4-3-10-28-25-14-21(22(26)15-29-25)19-8-9-23-24(13-19)32(17-30-23)16-18-6-5-7-20(27)12-18/h5-9,12-15,17H,3-4,10-11,16H2,1-2H3,(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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307935
PNG
( trans-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzim...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCCN3CCOCC3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(-3.42,3.9,;-2.39,5.05,;-2.87,6.51,;-1.84,7.66,;-.33,7.34,;.14,5.87,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.26,10.54,;19.59,11.31,;20.93,10.54,;20.93,9,;19.59,8.23,;18.26,9,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;-.89,4.73,)|
Show InChI InChI=1S/C31H36ClFN6O/c32-28-19-35-31(37-26-7-5-25(6-8-26)34-10-11-38-12-14-40-15-13-38)18-27(28)23-4-9-29-30(17-23)39(21-36-29)20-22-2-1-3-24(33)16-22/h1-4,9,16-19,21,25-26,34H,5-8,10-15,20H2,(H,35,37)/t25-,26-
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307809
PNG
(N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCNCC4)ncc2Cl)c1
Show InChI InChI=1S/C27H27ClFN5/c28-23-15-31-26(33-21-13-27(14-21)6-8-30-9-7-27)12-22(23)19-4-5-24-25(11-19)34(17-32-24)16-18-2-1-3-20(29)10-18/h1-5,10-12,15,17,21,30H,6-9,13-14,16H2,(H,31,33)
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307930
PNG
( trans-N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzim...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(N[C@H]3CC[C@@H](CC3)NCc3cccnc3)ncc2Cl)c1 |r,wU:23.28,wD:20.21,(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;11.59,8.23,;12.93,9,;12.93,10.54,;11.59,11.31,;10.26,10.54,;14.26,11.31,;15.59,10.54,;16.93,11.31,;18.26,10.54,;19.59,11.31,;19.59,12.85,;18.26,13.62,;16.93,12.85,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
Show InChI InChI=1S/C31H30ClFN6/c32-28-18-36-31(38-26-9-7-25(8-10-26)35-17-22-4-2-12-34-16-22)15-27(28)23-6-11-29-30(14-23)39(20-37-29)19-21-3-1-5-24(33)13-21/h1-6,11-16,18,20,25-26,35H,7-10,17,19H2,(H,36,38)/t25-,26-
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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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307701
PNG
( (3R)-N-[5-chloro-4-(1-methyl-1H-benzimidazol-6-yl...)
Show SMILES Cn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C19H20ClN5O/c1-25-11-23-16-5-4-12(7-17(16)25)14-8-18(22-10-15(14)20)24-19(26)13-3-2-6-21-9-13/h4-5,7-8,10-11,13,21H,2-3,6,9H2,1H3,(H,22,24,26)/t13-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307723
PNG
( (3R)-N-{5-chloro-4-[1-(2-sulfamoylethyl)-1H-benzi...)
Show SMILES NS(=O)(=O)CCn1cnc2ccc(cc12)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl
Show InChI InChI=1S/C20H23ClN6O3S/c21-16-11-24-19(26-20(28)14-2-1-5-23-10-14)9-15(16)13-3-4-17-18(8-13)27(12-25-17)6-7-31(22,29)30/h3-4,8-9,11-12,14,23H,1-2,5-7,10H2,(H2,22,29,30)(H,24,26,28)/t14-/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM307808
PNG
(BDBM307918 | BDBM307919 | N-{5-chloro-4-[1-(3-fluo...)
Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.48,9.32,;14.81,10.09,;14.81,11.63,;13.48,12.4,;12.14,11.63,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)|
Show InChI InChI=1S/C27H27ClFN5/c28-23-14-31-26(33-21-12-27(13-21)7-2-8-30-16-27)11-22(23)19-5-6-24-25(10-19)34(17-32-24)15-18-3-1-4-20(29)9-18/h1,3-6,9-11,14,17,21,30H,2,7-8,12-13,15-16H2,(H,31,33)
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US Patent
n/an/a 39n/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 US9650358 (2017)


BindingDB Entry DOI: 10.7270/Q2057J0M
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%