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Compile Data Set for Download or QSAR

Found 230 hits with Last Name = 'bini' and Initial = 'g'   
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
Translocator protein


(Rattus norvegicus (rat))		BDBM50355785
PNG
(CHEMBL1911624)
Show SMILES CCCCN(C)C(=O)Cn1c2nn(-c3ccc(F)cc3)c(=O)c2c(C)c2ccccc12
Show InChI InChI=1S/C24H25FN4O2/c1-4-5-14-27(3)21(30)15-28-20-9-7-6-8-19(20)16(2)22-23(28)26-29(24(22)31)18-12-10-17(25)11-13-18/h6-13H,4-5,14-15H2,1-3H3
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n/an/a 0.130n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50355784
PNG
(CHEMBL1911623)
Show SMILES CN(C(=O)Cn1c2nn(-c3ccccc3)c(=O)c2c(C)c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H21ClN4O2/c1-17-21-10-6-7-11-22(21)30(16-23(32)29(2)19-14-12-18(27)13-15-19)25-24(17)26(33)31(28-25)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50355781
PNG
(CHEMBL1911620)
Show SMILES CCCCN(C)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c2c(C)c2ccccc12
Show InChI InChI=1S/C24H26N4O2/c1-4-5-15-26(3)21(29)16-27-20-14-10-9-13-19(20)17(2)22-23(27)25-28(24(22)30)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3
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n/an/a 0.140n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50355786
PNG
(CHEMBL1911625)
Show SMILES CN(C(=O)Cn1c2nn(-c3ccc(F)cc3)c(=O)c2c(C)c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20ClFN4O2/c1-16-21-5-3-4-6-22(21)31(15-23(33)30(2)19-11-7-17(27)8-12-19)25-24(16)26(34)32(29-25)20-13-9-18(28)10-14-20/h3-14H,15H2,1-2H3
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50355783
PNG
(CHEMBL1911622)
Show SMILES CCCCN(CCCC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c2c(C)c2ccccc12
Show InChI InChI=1S/C27H32N4O2/c1-4-6-17-29(18-7-5-2)24(32)19-30-23-16-12-11-15-22(23)20(3)25-26(30)28-31(27(25)33)21-13-9-8-10-14-21/h8-16H,4-7,17-19H2,1-3H3
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n/an/a 0.340n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50355782
PNG
(CHEMBL1911621)
Show SMILES CCN(CC)C(=O)Cn1c2nn(-c3ccccc3)c(=O)c2c(C)c2ccccc12
Show InChI InChI=1S/C23H24N4O2/c1-4-25(5-2)20(28)15-26-19-14-10-9-13-18(19)16(3)21-22(26)24-27(23(21)29)17-11-7-6-8-12-17/h6-14H,4-5,15H2,1-3H3
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1


(Homo sapiens (Human))		BDBM50545573
PNG
(CHEMBL4635883 | US11530193, Example 54)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
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University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human CAMK1A using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1G


(Homo sapiens (Human))		BDBM50545573
PNG
(CHEMBL4635883 | US11530193, Example 54)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
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University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human CAMK1G using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot assay

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))		BDBM50355767
PNG
(CHEMBL1911606)
Show SMILES CN(C(=O)Cn1n(-c2ccccc2)c(=O)c2c(C)c3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H21ClN4O2/c1-17-21-10-6-7-11-22(21)28-25-24(17)26(33)31(20-8-4-3-5-9-20)30(25)16-23(32)29(2)19-14-12-18(27)13-15-19/h3-15H,16H2,1-2H3
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n/an/a 1.80n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1


(Homo sapiens (Human))		BDBM50545576
PNG
(CHEMBL4640712 | US11530193, Example 50)
Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r|
Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1
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University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human CAMK1A using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1B


(Homo sapiens (Human))		BDBM50545573
PNG
(CHEMBL4635883 | US11530193, Example 54)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
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University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human CAMK1B using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585168
PNG
(US11530193, Example 79)
Show SMILES CC(C)n1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(-c2ccc(cc2)C(F)(F)F)c1=O |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585211
PNG
(US11530193, Example 127)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C1CCN(CC1)C(C)=O |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585210
PNG
(US11530193, Example 126)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C1CCNCC1 |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585207
PNG
(US11530193, Example 123)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C1CCOCC1 |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585158
PNG
(US11530193, Example 69)
Show SMILES CC1(C)C(=O)Nc2c1cc(Nc1nc(ncc1C(N)=O)N1CCC[C@H](N)C1)cc2C1=CCCCC1 |r,t:33|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585167
PNG
(US11530193, Example 78)
Show SMILES CC(C)n1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(-c2ccc(Cl)cc2)c1=O |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585159
PNG
(US11530193, Example 70)
Show SMILES CC1(C)C(=O)Nc2c1cc(Nc1nc(ncc1C(N)=O)N1CCC[C@H](N)C1)cc2-c1ccccc1 |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50355777
PNG
(CHEMBL1911616)
Show SMILES CN(C(=O)Cn1n(-c2ccc(F)cc2)c(=O)c2c(C)c3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20ClFN4O2/c1-16-21-5-3-4-6-22(21)29-25-24(16)26(34)32(20-13-9-18(28)10-14-20)31(25)15-23(33)30(2)19-11-7-17(27)8-12-19/h3-14H,15H2,1-2H3
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Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585217
PNG
(US11530193, Example 132)
Show SMILES COc1ccc(cc1)-c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585172
PNG
(US11530193, Example 83)
Show SMILES CC(C)n1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(C2CCC(F)(F)CC2)c1=O |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50249319
PNG
(2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenyl...)
Show SMILES NCCNc1ncc(C(N)=O)c(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C14H15F3N6O/c15-14(16,17)8-2-1-3-9(6-8)22-12-10(11(19)24)7-21-13(23-12)20-5-4-18/h1-3,6-7H,4-5,18H2,(H2,19,24)(H2,20,21,22,23)
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n/an/a 7n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human SYK using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585218
PNG
(US11530193, Example 133)
Show SMILES COc1ccc(cc1)-c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)O |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585208
PNG
(US11530193, Example 124)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C1CCS(=O)(=O)CC1 |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585215
PNG
(US11530193, Example 130)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C1CCCC1 |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585216
PNG
(US11530193, Example 131)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C1CCCCC1 |r|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM50545573
PNG
(CHEMBL4635883 | US11530193, Example 54)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM50545573
PNG
(CHEMBL4635883 | US11530193, Example 54)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged CAMK1D expressed in baculovirus expression system using autocamtide-2 as substrate preincubate...

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM50545576
PNG
(CHEMBL4640712 | US11530193, Example 50)
Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r|
Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte...

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM50545573
PNG
(CHEMBL4635883 | US11530193, Example 54)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human CAMK1D using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585209
PNG
(US11530193, Example 125)
Show SMILES CO[C@H]1CC[C@@H](CC1)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r,wU:5.8,wD:25.27,2.1,(7.49,-5.12,;6.16,-5.89,;4.82,-5.12,;4.82,-3.58,;3.49,-2.81,;2.16,-3.58,;2.16,-5.12,;3.49,-5.89,;.82,-2.81,;.82,-1.27,;-.51,-.5,;-.51,1.04,;-1.84,1.81,;-3.18,1.04,;-4.51,1.81,;-4.51,3.35,;-3.18,4.12,;-1.84,3.35,;-.51,4.12,;.82,3.35,;-.51,5.66,;-5.84,1.04,;-5.84,-.5,;-7.18,-1.27,;-8.51,-.5,;-8.51,1.04,;-9.85,1.81,;-7.18,1.81,;-1.84,-1.27,;-1.84,-2.81,;-.51,-3.58,;-3.18,-3.58,;-3.18,-5.12,;-4.51,-2.81,)|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585213
PNG
(US11530193, Example 128)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C1CCC(F)(F)CC1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585166
PNG
(US11530193, Example 77)
Show SMILES CC(C)n1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(-c2ccccc2)c1=O |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585157
PNG
(US11530193, Example 68)
Show SMILES CC1(C)C(=O)Nc2c1cc(Nc1nc(ncc1C(N)=O)N1CCC[C@H](N)C1)cc2C1CCCCC1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585149
PNG
(US11530193, Example 60)
Show SMILES N[C@H]1CCCN(C1)c1ncc(C(N)=O)c(Nc2cc(-c3ccccc3)c3cnnc3c2)n1 |r|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM50545573
PNG
(CHEMBL4635883 | US11530193, Example 54)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(C)C |r|
Show InChI InChI=1S/C21H31N7O/c1-12(2)17-8-15(9-18(26-17)13(3)4)25-20-16(19(23)29)10-24-21(27-20)28-7-5-6-14(22)11-28/h8-10,12-14H,5-7,11,22H2,1-4H3,(H2,23,29)(H,24,25,26,27)/t14-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte...

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585169
PNG
(US11530193, Example 80)
Show SMILES CC(C)n1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(C2=CCC(F)(F)CC2)c1=O |r,t:27|
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TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1B


(Homo sapiens (Human))		BDBM50545576
PNG
(CHEMBL4640712 | US11530193, Example 50)
Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)C(C)(C)C#N |r|
Show InChI InChI=1S/C24H30N8O/c1-23(2,13-25)15-8-16(24(3,4)14-26)10-18(9-15)30-21-19(20(28)33)11-29-22(31-21)32-7-5-6-17(27)12-32/h8-11,17H,5-7,12,27H2,1-4H3,(H2,28,33)(H,29,30,31)/t17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human CAMK1B using KKALRRQETVDAL as substrate in presence of [gamma-33P]-ATP by hotspot kinase assay

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585171
PNG
(US11530193, Example 82)
Show SMILES CC(C)n1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(C2CCCCC2)c1=O |r|
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585161
PNG
(US11530193, Example 72)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc2c1NC(=O)C21CCCCC1 |r|
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50355780
PNG
(CHEMBL1911619)
Show SMILES CN(C(=O)Cn1n(-c2ccc(Cl)cc2)c(=O)c2c(C)c3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H20Cl2N4O2/c1-16-21-5-3-4-6-22(21)29-25-24(16)26(34)32(20-13-9-18(28)10-14-20)31(25)15-23(33)30(2)19-11-7-17(27)8-12-19/h3-14H,15H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50355768
PNG
(CHEMBL1911607)
Show SMILES COc1ccc(cc1)N(C)C(=O)Cn1n(-c2ccccc2)c(=O)c2c(C)c3ccccc3nc12
Show InChI InChI=1S/C27H24N4O3/c1-18-22-11-7-8-12-23(22)28-26-25(18)27(33)31(20-9-5-4-6-10-20)30(26)17-24(32)29(2)19-13-15-21(34-3)16-14-19/h4-16H,17H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry

J Med Chem 54: 7165-75 (2011)


Article DOI: 10.1021/jm200770f
BindingDB Entry DOI: 10.7270/Q2MG7PWM
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM50545587
PNG
(CHEMBL4633229 | US11530193, Example 135)
Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29N7O/c1-26(2,16-27)19-11-18(17-7-4-3-5-8-17)12-21(13-19)31-24-22(23(29)34)14-30-25(32-24)33-10-6-9-20(28)15-33/h3-5,7-8,11-14,20H,6,9-10,15,28H2,1-2H3,(H2,29,34)(H,30,31,32)/t20-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of HA-tagged CAMK1D (unknown origin) expressed in human MDA-MB-231 cells assessed as reduction in CAMK1D autophosphorylation measured afte...

J Med Chem 63: 6784-6801 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01803
BindingDB Entry DOI: 10.7270/Q2QF8XG3
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585174
PNG
(US11530193, Example 85)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cn(-c2ccccc2)c1=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585173
PNG
(US11530193, Example 84)
Show SMILES CC(C)n1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(C(=O)N2CCCCC2)c1=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585156
PNG
(US11530193, Example 67)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc2c1NC(=O)C2(C)C |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
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UniChem
US Patent
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM50545587
PNG
(CHEMBL4633229 | US11530193, Example 135)
Show SMILES CC(C)(C#N)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C26H29N7O/c1-26(2,16-27)19-11-18(17-7-4-3-5-8-17)12-21(13-19)31-24-22(23(29)34)14-30-25(32-24)33-10-6-9-20(28)15-33/h3-5,7-8,11-14,20H,6,9-10,15,28H2,1-2H3,(H2,29,34)(H,30,31,32)/t20-/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585163
PNG
(US11530193, Example 74)
Show SMILES CC(C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(C(C)C)c1O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1D


(Homo sapiens (Human))		BDBM585146
PNG
(US11530193, Example 57)
Show SMILES CC(=C)c1cc(Nc2nc(ncc2C(N)=O)N2CCC[C@H](N)C2)cc(n1)C(F)(F)F |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
The following describes an ADP-Glo Kinase Assay, which measures the ADP formed from a kinase reaction; the ADP generated is converted into ATP and is...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2QZ2FTP
More data for this
Ligand-Target Pair
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