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Compile Data Set for Download or QSAR

Found 812 hits with Last Name = 'cameron' and Initial = 'ko'   
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 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529895
PNG
(US11203594, Example 5)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCCC2)c1=O
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0.400n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529784
PNG
(US11203594, Example 2)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCCC2)c1=O
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0.800n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529904
PNG
(US11203594, Example 14 | US11203594, Example 15)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCC(O)C2)c1=O
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0.900n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529893
PNG
(US11203594, Example 3)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(CNC3)C2)c1=O
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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529784
PNG
(US11203594, Example 2)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCCC2)c1=O
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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529895
PNG
(US11203594, Example 5)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCCC2)c1=O
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529894
PNG
(US11203594, Example 4)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529656
PNG
(US11203594, Example 1)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCC2)c1=O
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1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529919
PNG
(US11203594, Example 29)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(C2)CN(CC(F)F)C3)c1=O |r|
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1.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529656
PNG
(US11203594, Example 1)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCC2)c1=O
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2n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529902
PNG
(US11203594, Example 12 | US11203594, Example 13)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CC[C@@H]3C[C@H]23)c1=O
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529894
PNG
(US11203594, Example 4)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529893
PNG
(US11203594, Example 3)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(CNC3)C2)c1=O
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2.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529906
PNG
(US11203594, Example 16 | US11203594, Example 17)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CCC[C@]2(C)F)c1=O
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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529904
PNG
(US11203594, Example 14 | US11203594, Example 15)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCC(O)C2)c1=O
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2.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529898
PNG
(US11203594, Example 8 | US11203594, Example 9)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC(C)(C)[C@H]3O)nc2n(C2CCCC2)c1=O
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2.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529900
PNG
(US11203594, Example 10)
Show SMILES CC[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
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2.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529912
PNG
(US11203594, Example 22)
Show SMILES Cc1cc(=O)[nH]c2nc(N[C@@H]3CCOC[C@H]3O)nc([C@@H]3CCC[C@]3(C)F)c12
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2.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose of the CDK6/Cyclin D3 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/Q24B34GC
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440252
PNG
(CHEMBL2426686)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)nc1 |r|
Show InChI InChI=1S/C26H30N6O2/c1-34-22-5-3-20(27-16-22)15-25(33)30-12-8-26(9-13-30)17-31(18-26)24-7-2-19-14-21(4-6-23(19)24)32-28-10-11-29-32/h3-6,10-11,14,16,24H,2,7-9,12-13,15,17-18H2,1H3/t24-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529902
PNG
(US11203594, Example 12 | US11203594, Example 13)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CC[C@@H]3C[C@H]23)c1=O
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3.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529904
PNG
(US11203594, Example 14 | US11203594, Example 15)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCC(O)C2)c1=O
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3.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50061718
PNG
(CHEMBL3394200)
Show SMILES COc1ccc(OCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N |r|
Show InChI InChI=1S/C31H33N5O3/c1-21-13-27(34-20-33-21)23-3-6-26-22(14-23)4-7-28(26)36-18-31(19-36)9-11-35(12-10-31)30(37)17-39-29-8-5-25(38-2)15-24(29)16-32/h3,5-6,8,13-15,20,28H,4,7,9-12,17-19H2,1-2H3/t28-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440255
PNG
(CHEMBL2426683)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3nccs3)CC2)nc1 |r|
Show InChI InChI=1S/C27H30N4O2S/c1-33-22-5-4-21(29-16-22)15-25(32)30-11-8-27(9-12-30)17-31(18-27)24-7-3-19-14-20(2-6-23(19)24)26-28-10-13-34-26/h2,4-6,10,13-14,16,24H,3,7-9,11-12,15,17-18H2,1H3/t24-/m1/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529909
PNG
(US11203594, Example 19)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC(C)(C)C2)c1=O
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4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529909
PNG
(US11203594, Example 19)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC(C)(C)C2)c1=O
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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50019921
PNG
(CHEMBL3287213)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4ncccn4)CC3)nc2s1 |r|
Show InChI InChI=1S/C28H30N6OS/c1-19-15-33-16-22(31-27(33)36-19)14-25(35)32-11-7-28(8-12-32)17-34(18-28)24-6-4-20-13-21(3-5-23(20)24)26-29-9-2-10-30-26/h2-3,5,9-10,13,15-16,24H,4,6-8,11-12,14,17-18H2,1H3/t24-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay


ACS Med Chem Lett 5: 474-9 (2014)


Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529919
PNG
(US11203594, Example 29)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(C2)CN(CC(F)F)C3)c1=O |r|
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4.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529900
PNG
(US11203594, Example 10)
Show SMILES CC[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529906
PNG
(US11203594, Example 16 | US11203594, Example 17)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CCC[C@]2(C)F)c1=O
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50386955
PNG
(CHEMBL2048820)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5Cl)-n5nccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C24H26ClN7OS/c1-17-12-31-14-19(28-23(31)34-17)10-22(33)30-8-4-24(5-9-30)15-29(16-24)13-18-2-3-20(11-21(18)25)32-26-6-7-27-32/h2-3,6-7,11-12,14H,4-5,8-10,13,15-16H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440261
PNG
(CHEMBL2426677)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440261
PNG
(CHEMBL2426677)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay


ACS Med Chem Lett 5: 474-9 (2014)


Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50061725
PNG
(CHEMBL3394195)
Show SMILES Cc1cc(ncn1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(cn1)C1CC1 |r|
Show InChI InChI=1S/C31H35N5O/c1-21-14-28(34-20-33-21)24-5-8-27-23(15-24)6-9-29(27)36-18-31(19-36)10-12-35(13-11-31)30(37)16-26-7-4-25(17-32-26)22-2-3-22/h4-5,7-8,14-15,17,20,22,29H,2-3,6,9-13,16,18-19H2,1H3/t29-/m1/s1
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6.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50019926
PNG
(CHEMBL3287218)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 |r|
Show InChI InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b...


ACS Med Chem Lett 5: 474-9 (2014)


Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50019926
PNG
(CHEMBL3287218)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4cc(C)ncn4)CC3)nc2s1 |r|
Show InChI InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay


ACS Med Chem Lett 5: 474-9 (2014)


Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50019921
PNG
(CHEMBL3287213)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(C4)[C@@H]4CCc5cc(ccc45)-c4ncccn4)CC3)nc2s1 |r|
Show InChI InChI=1S/C28H30N6OS/c1-19-15-33-16-22(31-27(33)36-19)14-25(35)32-11-7-28(8-12-32)17-34(18-28)24-6-4-20-13-21(3-5-23(20)24)26-29-9-2-10-30-26/h2-3,5,9-10,13,15-16,24H,4,6-8,11-12,14,17-18H2,1H3/t24-/m1/s1
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6.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ghrelin receptor expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP-gamma-S b...


ACS Med Chem Lett 5: 474-9 (2014)


Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529898
PNG
(US11203594, Example 8 | US11203594, Example 9)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC(C)(C)[C@H]3O)nc2n(C2CCCC2)c1=O
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6.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440261
PNG
(CHEMBL2426677)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncccn3)CC2)cc1 |r|
Show InChI InChI=1S/C29H32N4O2/c1-35-24-7-3-21(4-8-24)17-27(34)32-15-11-29(12-16-32)19-33(20-29)26-10-6-22-18-23(5-9-25(22)26)28-30-13-2-14-31-28/h2-5,7-9,13-14,18,26H,6,10-12,15-17,19-20H2,1H3/t26-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529896
PNG
(US11203594, Example 6 | US11203594, Example 7)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@H]2CCC[C@]2(C)O)c1=O
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7.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440254
PNG
(CHEMBL2426684)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-n3nccn3)CC2)cc1 |r|
Show InChI InChI=1S/C27H31N5O2/c1-34-23-6-2-20(3-7-23)16-26(33)30-14-10-27(11-15-30)18-31(19-27)25-9-4-21-17-22(5-8-24(21)25)32-28-12-13-29-32/h2-3,5-8,12-13,17,25H,4,9-11,14-16,18-19H2,1H3/t25-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529896
PNG
(US11203594, Example 6 | US11203594, Example 7)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@H]2CCC[C@]2(C)O)c1=O
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7.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529904
PNG
(US11203594, Example 14 | US11203594, Example 15)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCC(O)C2)c1=O
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7.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529902
PNG
(US11203594, Example 12 | US11203594, Example 13)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CC[C@@H]3C[C@H]23)c1=O
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8.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440251
PNG
(CHEMBL2426687)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440251
PNG
(CHEMBL2426687)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3ncc(C)cn3)CC2)nc1 |r|
Show InChI InChI=1S/C29H33N5O2/c1-20-15-31-28(32-16-20)22-3-7-25-21(13-22)4-8-26(25)34-18-29(19-34)9-11-33(12-10-29)27(35)14-23-5-6-24(36-2)17-30-23/h3,5-7,13,15-17,26H,4,8-12,14,18-19H2,1-2H3/t26-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]ghrelin from human ghrelin receptor expressed in HEK293 cells after 8 hrs by scintillation proximity assay


ACS Med Chem Lett 5: 474-9 (2014)


Article DOI: 10.1021/ml400473x
BindingDB Entry DOI: 10.7270/Q2MS3VB3
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50440253
PNG
(CHEMBL2426685)
Show SMILES CCc1cnc(nc1)-c1ccc2[C@@H](CCc2c1)N1CC2(C1)CCN(CC2)C(=O)Cc1ccc(OC)cn1 |r|
Show InChI InChI=1S/C30H35N5O2/c1-3-21-16-32-29(33-17-21)23-4-8-26-22(14-23)5-9-27(26)35-19-30(20-35)10-12-34(13-11-30)28(36)15-24-6-7-25(37-2)18-31-24/h4,6-8,14,16-18,27H,3,5,9-13,15,19-20H2,1-2H3/t27-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting


Bioorg Med Chem Lett 23: 5410-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.044
BindingDB Entry DOI: 10.7270/Q25H7HP5
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50061717
PNG
(CHEMBL3394201)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O |r|
Show InChI InChI=1S/C31H35N5O3/c1-20-13-27(34-19-33-20)23-4-7-25-21(14-23)5-8-28(25)36-17-31(18-36)9-11-35(12-10-31)29(37)15-22-3-6-24(39-2)16-26(22)30(32)38/h3-4,6-7,13-14,16,19,28H,5,8-12,15,17-18H2,1-2H3,(H2,32,38)/t28-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529908
PNG
(US11203594, Example 18)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@H]2CCNC2)c1=O
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9.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM529902
PNG
(US11203594, Example 12 | US11203594, Example 13)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CC[C@@H]3C[C@H]23)c1=O
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9.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM529917
PNG
(US11203594, Example 27)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CCNC2)c1=O
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9.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...


Citation and Details

BindingDB Entry DOI: 10.7270/Q24B34GC
More data for this
Ligand-Target Pair
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