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Compile Data Set for Download or QSAR

Found 204 hits of ki for UniProtKB: Q00534   
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-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370149
PNG
(US10233188, Example 37 | US10800783, Example 37 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C)c1=O |r|
Show InChI InChI=1S/C20H29N5O3S/c1-13-5-4-6-17(13)25-18-15(11-14(2)19(25)26)12-21-20(23-18)22-16-7-9-24(10-8-16)29(3,27)28/h11-13,16-17H,4-10H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1
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 0.0600n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370162
PNG
(US10233188, Example 50 | US10800783, Example 50 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CO)c1=O |r|
Show InChI InChI=1S/C20H29N5O4S/c1-13-4-3-5-17(13)25-18-14(10-15(12-26)19(25)27)11-21-20(23-18)22-16-6-8-24(9-7-16)30(2,28)29/h10-11,13,16-17,26H,3-9,12H2,1-2H3,(H,21,22,23)/t13-,17+/m0/s1
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 0.0800n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370121
PNG
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
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 0.0800n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370219
PNG
(US10233188, Example 106 | US10233188, Example 109 ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1
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 0.110n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370115
PNG
(4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r|
Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1
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 0.120n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370163
PNG
(US10233188, Example 51 | US10800783, Example 51 | ...)
Show SMILES C[C@@H]1CCC[C@@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CO)c1=O |r|
Show InChI InChI=1S/C20H29N5O4S/c1-13-4-3-5-17(13)25-18-14(10-15(12-26)19(25)27)11-21-20(23-18)22-16-6-8-24(9-7-16)30(2,28)29/h10-11,13,16-17,26H,3-9,12H2,1-2H3,(H,21,22,23)/t13-,17+/m1/s1
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 0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM467013
PNG
((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r|
Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m1/s1
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 0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370147
PNG
(US10233188, Example 36 | US10800783, Example 36 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H27N5O3S/c1-13-4-3-5-16(13)24-17(25)7-6-14-12-20-19(22-18(14)24)21-15-8-10-23(11-9-15)28(2,26)27/h6-7,12-13,15-16H,3-5,8-11H2,1-2H3,(H,20,21,22)/t13-,16+/m0/s1
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 0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370152
PNG
(US10233188, Example 40 | US10800783, Example 40 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m0/s1
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 0.140n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370290
PNG
(BDBM467185 | US10233188, Example 177)
Show SMILES CC(=O)c1c(C)c2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
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 0.140n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370227
PNG
(US10233188, Example 114 | US10800783, Example 114 ...)
Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C22H33N5O5S/c1-15-13-16-14-23-21(24-17-6-9-26(10-7-17)33(30,31)12-11-32-3)25-19(16)27(20(15)28)18-5-4-8-22(18,2)29/h13-14,17-18,29H,4-12H2,1-3H3,(H,23,24,25)/t18-,22-/m1/s1
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 0.150n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))		BDBM370121
PNG
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
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 0.160n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach

Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370325
PNG
(BDBM467220 | US10233188, Example 212)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C(F)F)c(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
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 0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370317
PNG
(BDBM467212 | US10233188, Example 204)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
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 0.180n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370233
PNG
(US10233188, Example 120 | US10800783, Example 120 ...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC#N)c1=O |r|
Show InChI InChI=1S/C21H28N6O4S/c1-21(29)8-3-4-17(21)27-18-15(12-14(5-9-22)19(27)28)13-23-20(25-18)24-16-6-10-26(11-7-16)32(2,30)31/h12-13,16-17,29H,3-8,10-11H2,1-2H3,(H,23,24,25)/t17-,21-/m1/s1
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 0.180n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370219
PNG
(US10233188, Example 106 | US10233188, Example 109 ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1
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 0.190n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370256
PNG
(BDBM467151 | US10233188, Example 143)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CO)c(=O)n(C3CCCC3)c2n1
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 0.190n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370229
PNG
(US10233188, Example 116 | US10800783, Example 116 ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C23H33N5O4S/c1-15-12-17-13-24-22(26-20(17)28(21(15)29)19-4-3-9-23(19,2)30)25-18-7-10-27(11-8-18)33(31,32)14-16-5-6-16/h12-13,16,18-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t19-,23-/m1/s1
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 0.210n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370136
PNG
(US10233188, Example 25 | US10800783, Example 25 | ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(N)(=O)=O)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C18H26N6O3S/c1-12-10-13-11-20-18(21-14-6-8-23(9-7-14)28(19,26)27)22-16(13)24(17(12)25)15-4-2-3-5-15/h10-11,14-15H,2-9H2,1H3,(H2,19,26,27)(H,20,21,22)
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 0.230n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370235
PNG
(US10233188, Example 122 | US10800783, Example 122 ...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O5S/c1-21(29)8-3-4-17(21)26-18-15(12-14(7-11-27)19(26)28)13-22-20(24-18)23-16-5-9-25(10-6-16)32(2,30)31/h12-13,16-17,27,29H,3-11H2,1-2H3,(H,22,23,24)/t17-,21-/m1/s1
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 0.230n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370164
PNG
(US10233188, Example 52 | US10800783, Example 52 | ...)
Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r|
Show InChI InChI=1S/C21H31N5O4S/c1-15-4-3-5-18(15)26-19(27)7-6-16-14-22-21(24-20(16)26)23-17-8-10-25(11-9-17)31(28,29)13-12-30-2/h6-7,14-15,17-18H,3-5,8-13H2,1-2H3,(H,22,23,24)/t15-,18+/m0/s1
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 0.240n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370120
PNG
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r|
Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1
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 0.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370205
PNG
(US10233188, Example 92 | US10800783, Example 92 | ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C20H29N5O4S/c1-13-11-14-12-21-19(22-15-6-9-24(10-7-15)30(3,28)29)23-17(14)25(18(13)26)16-5-4-8-20(16,2)27/h11-12,15-16,27H,4-10H2,1-3H3,(H,21,22,23)/t16-,20-/m1/s1
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 0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370261
PNG
(BDBM467156 | US10233188, Example 148)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(c(=O)n(C3CCCC3)c2n1)C(F)(F)F
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 0.260n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370267
PNG
(BDBM467162 | US10233188, Example 154)
Show SMILES CS(=O)(=O)N1CC[C@H](Nc2ncc3cc(Cl)c(=O)n(C4CCCC4)c3n2)[C@@H](F)C1 |r|
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 0.270n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370223
PNG
(US10233188, Example 110 | US10800783, Example 110 ...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C21H31N5O4S/c1-4-31(29,30)25-10-7-16(8-11-25)23-20-22-13-15-12-14(2)19(27)26(18(15)24-20)17-6-5-9-21(17,3)28/h12-13,16-17,28H,4-11H2,1-3H3,(H,22,23,24)/t17-,21-/m1/s1
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 0.280n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370300
PNG
(BDBM467195 | US10233188, Example 187)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(C(F)F)c1=O |r|
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 0.290n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370140
PNG
(US10233188, Example 29 | US10800783, Example 29 | ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C18H24ClN5O3S/c1-28(26,27)23-8-6-13(7-9-23)21-18-20-11-12-10-15(19)17(25)24(16(12)22-18)14-4-2-3-5-14/h10-11,13-14H,2-9H2,1H3,(H,20,21,22)
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 0.310n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370133
PNG
(US10233188, Example 22 | US10800783, Example 22 | ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C19H27N5O3S/c1-13-11-14-12-20-19(21-15-7-9-23(10-8-15)28(2,26)27)22-17(14)24(18(13)25)16-5-3-4-6-16/h11-12,15-16H,3-10H2,1-2H3,(H,20,21,22)
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 0.330n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370207
PNG
(US10233188, Example 94 | US10800783, Example 94 | ...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C20H30N6O4S/c1-13-11-14-12-22-19(23-15-6-9-25(10-7-15)31(29,30)21-3)24-17(14)26(18(13)27)16-5-4-8-20(16,2)28/h11-12,15-16,21,28H,4-10H2,1-3H3,(H,22,23,24)/t16-,20-/m1/s1
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 0.330n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370141
PNG
(US10233188, Example 30 | US10800783, Example 30 | ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C(F)F)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C19H25F2N5O3S/c1-30(28,29)25-8-6-13(7-9-25)23-19-22-11-12-10-15(16(20)21)18(27)26(17(12)24-19)14-4-2-3-5-14/h10-11,13-14,16H,2-9H2,1H3,(H,22,23,24)
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 0.340n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370153
PNG
(US10233188, Example 41 | US10800783, Example 41 | ...)
Show SMILES C[C@@H]1CCC[C@@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m1/s1
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 0.360n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370334
PNG
(BDBM467229 | US10233188, Example 221)
Show SMILES C[C@@H]1[C@H](O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
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 0.360n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370245
PNG
(US10233188, Example 132 | US10800783, Example 132 ...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(c1=O)C(F)(F)F |r|
Show InChI InChI=1S/C20H26F3N5O4S/c1-19(30)7-3-4-15(19)28-16-12(10-14(17(28)29)20(21,22)23)11-24-18(26-16)25-13-5-8-27(9-6-13)33(2,31)32/h10-11,13,15,30H,3-9H2,1-2H3,(H,24,25,26)/t15-,19-/m1/s1
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 0.370n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370254
PNG
(BDBM467148 | US10233188, Example 141)
Show SMILES CCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O
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 0.370n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370298
PNG
(BDBM467193 | US10233188, Example 185)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CO)c1=O |r|
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 0.380n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370145
PNG
(US10233188, Example 34 | US10800783, Example 34 | ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(Cl)c(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H26ClN5O4S/c1-30(28,29)24-7-5-13(6-8-24)22-19-21-11-12-9-16(20)18(27)25(17(12)23-19)14-3-2-4-15(26)10-14/h9,11,13-15,26H,2-8,10H2,1H3,(H,21,22,23)/t14-,15-/m1/s1
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 0.420n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370150
PNG
(US10233188, Example 38 | US10800783, Example 38 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O |r|
Show InChI InChI=1S/C19H26ClN5O3S/c1-12-4-3-5-16(12)25-17-13(10-15(20)18(25)26)11-21-19(23-17)22-14-6-8-24(9-7-14)29(2,27)28/h10-12,14,16H,3-9H2,1-2H3,(H,21,22,23)/t12-,16+/m0/s1
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 0.420n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370243
PNG
(US10233188, Example 130 | US10800783, Example 130 ...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C(F)F)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C20H28F2N6O4S/c1-20(30)7-3-4-15(20)28-17-12(10-14(16(21)22)18(28)29)11-24-19(26-17)25-13-5-8-27(9-6-13)33(31,32)23-2/h10-11,13,15-16,23,30H,3-9H2,1-2H3,(H,24,25,26)/t15-,20-/m1/s1
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 0.430n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370265
PNG
(BDBM467160 | US10233188, Example 152)
Show SMILES CS(=O)(=O)N1CC[C@H](Nc2ncc3cc(Cl)c(=O)n(C4CCCC4)c3n2)[C@H](F)C1 |r|
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM467142
PNG
((8-cyclopentyl-2-{[(methylsulfonyl)piperidin-4-yl]...)
Show SMILES CCOC(=O)Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H31N5O5S/c1-3-32-19(28)13-15-12-16-14-23-22(24-17-8-10-26(11-9-17)33(2,30)31)25-20(16)27(21(15)29)18-6-4-5-7-18/h12,14,17-18H,3-11,13H2,1-2H3,(H,23,24,25)
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 0.440n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370260
PNG
(BDBM467155 | US10233188, Example 147)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CC(O)=O)c(=O)n(C3CCCC3)c2n1
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370170
PNG
(US10233188, Example 58 | US10800783, Example 58 | ...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(=O)(=O)CF)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H26FN5O4S/c1-19(27)8-2-3-15(19)25-16(26)5-4-13-11-21-18(23-17(13)25)22-14-6-9-24(10-7-14)30(28,29)12-20/h4-5,11,14-15,27H,2-3,6-10,12H2,1H3,(H,21,22,23)/t15-,19-/m1/s1
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370241
PNG
(US10233188, Example 128 | US10800783, Example 128 ...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Cl)c1=O |r|
Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)6-2-3-14(18)25-15-11(9-13(19)16(25)26)10-21-17(23-15)22-12-4-7-24(8-5-12)30(20,28)29/h9-10,12,14,27H,2-8H2,1H3,(H2,20,28,29)(H,21,22,23)/t14-,18-/m1/s1
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370246
PNG
(US10233188, Example 133 | US10800783, Example 133 ...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C(F)F)c(=O)n([C@@H]3CC[C@@H](O)C3)c2n1 |r|
Show InChI InChI=1S/C19H25F2N5O4S/c1-31(29,30)25-6-4-12(5-7-25)23-19-22-10-11-8-15(16(20)21)18(28)26(17(11)24-19)13-2-3-14(27)9-13/h8,10,12-14,16,27H,2-7,9H2,1H3,(H,22,23,24)/t13-,14-/m1/s1
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370160
PNG
(US10233188, Example 48 | US10800783, Example 48 | ...)
Show SMILES COCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@H]2C)c1=O |r|
Show InChI InChI=1S/C21H31N5O4S/c1-14-5-4-6-18(14)26-19-15(11-16(13-30-2)20(26)27)12-22-21(24-19)23-17-7-9-25(10-8-17)31(3,28)29/h11-12,14,17-18H,4-10,13H2,1-3H3,(H,22,23,24)/t14-,18+/m0/s1
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370255
PNG
(BDBM467150 | US10233188, Example 142)
Show SMILES COCc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370304
PNG
(BDBM467199 | US10233188, Example 191)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(N[C@H]3CCN(C[C@H]3F)S(C)(=O)=O)ncc2cc(Cl)c1=O |r|
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370134
PNG
(US10233188, Example 23 | US10800783, Example 23 | ...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C19H28N6O3S/c1-13-11-14-12-21-19(22-15-7-9-24(10-8-15)29(27,28)20-2)23-17(14)25(18(13)26)16-5-3-4-6-16/h11-12,15-16,20H,3-10H2,1-2H3,(H,21,22,23)
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 [L188C]


(Homo sapiens (Human))		BDBM370253
PNG
(6-(2,2-difluoroethyl)-8-[(1R,3R)-3-hydroxycyclohex...)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CC(F)F)c(=O)n([C@@H]3CCC[C@@H](O)C3)c2n1 |r|
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TBA

Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
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