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Compile Data Set for Download or QSAR

Found 506 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2507   
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
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615672
PNG
(US20230271954, Compound 3A | trans-6-chloro-4-((4-...)
Show SMILES Cn1c2ccc(Cl)nc2c(N[C@H]2CC[C@@H](CC2)N(C2CC2)c2ccccc2)c(C#N)c1=O |r,wU:11.11,wD:14.18,(-1.44,6.93,;-1.44,5.39,;-2.77,4.62,;-4.1,5.39,;-5.44,4.62,;-5.44,3.08,;-6.77,2.31,;-4.1,2.31,;-2.77,3.08,;-1.44,2.31,;-1.44,.77,;-.1,,;1.23,.77,;2.56,,;2.56,-1.54,;1.23,-2.31,;-.1,-1.54,;3.9,-2.31,;5.23,-1.54,;6.77,-1.54,;6,-.21,;3.9,-3.85,;2.56,-4.62,;2.56,-6.16,;3.9,-6.93,;5.23,-6.16,;5.23,-4.62,;-.1,3.08,;1.23,2.31,;2.56,1.54,;-.1,4.62,;1.23,5.39,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615764
PNG
(Cis-8-4-((cyclopropylmethyl)(3,4-difluorophenyl) a...)
Show SMILES CN([C@H]1CC[C@H](CC1)N(CC1CC1)c1ccc(F)c(F)c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,2.1,(-2.1,-4.62,;-2.1,-3.08,;-.77,-2.31,;-.77,-.77,;.56,,;1.9,-.77,;1.9,-2.31,;.56,-3.08,;3.23,,;4.56,-.77,;5.9,,;7.44,,;6.67,1.33,;3.23,1.54,;4.56,2.31,;4.56,3.85,;3.23,4.62,;3.23,6.16,;1.9,3.85,;.56,4.62,;1.9,2.31,;-3.44,-2.31,;-4.73,-3.17,;-4.71,-4.71,;-4.69,-6.25,;-6.1,-2.31,;-7.44,-3.08,;-6.1,-.77,;-7.44,,;-4.77,,;-4.77,1.54,;-3.44,2.31,;-2.1,1.54,;-2.1,,;-3.44,-.77,;-.77,2.31,;.56,3.08,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615861
PNG
(US20230271954, Compound 160 | cis-8-((-4-((cyclobu...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1cc2OCOc2cc1F)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.53,;-2.28,-1.99,;-.94,-1.22,;.39,-1.99,;1.72,-1.22,;1.72,.32,;.39,1.09,;-.94,.32,;3.06,1.09,;4.39,.32,;5.73,1.09,;7.21,.69,;7.61,2.18,;6.12,2.58,;3.06,2.63,;4.39,3.4,;4.39,4.94,;5.54,5.97,;4.91,7.38,;3.38,7.22,;3.06,5.71,;1.72,4.94,;1.72,3.4,;.39,2.63,;-3.61,-1.22,;-3.61,.32,;-2.28,1.09,;-.94,1.86,;-4.94,1.09,;-4.94,2.63,;-6.28,.32,;-7.61,1.09,;-6.28,-1.22,;-7.61,-1.99,;-7.61,-3.53,;-6.28,-4.35,;-4.94,-3.53,;-4.94,-1.99,;-6.28,-5.89,;-6.28,-7.43,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615862
PNG
(US20230271954, Compound 161 | cis-8-((-4-((cyclobu...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1cc2OCOc2cc1F)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.53,;-2.28,-1.99,;-.94,-1.22,;.39,-1.99,;1.72,-1.22,;1.72,.32,;.39,1.09,;-.94,.32,;3.06,1.09,;4.39,.32,;5.73,1.09,;7.21,.69,;7.61,2.18,;6.12,2.58,;3.06,2.63,;4.39,3.4,;4.39,4.94,;5.54,5.97,;4.91,7.38,;3.38,7.22,;3.06,5.71,;1.72,4.94,;1.72,3.4,;.39,2.63,;-3.61,-1.22,;-3.61,.32,;-4.94,1.09,;-4.94,2.63,;-6.28,.32,;-7.61,1.09,;-6.28,-1.22,;-7.61,-1.99,;-7.61,-3.53,;-6.28,-4.3,;-4.94,-3.53,;-4.94,-1.99,;-6.28,-5.84,;-6.28,-7.38,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615864
PNG
(US20230271954, Compound 163 | cis-8-((-4-(((1,4-di...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1COCCO1)c1ccc(F)cc1)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.67,-3.47,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;1.33,.38,;,1.15,;-1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;2.67,2.69,;4,3.47,;4,5,;2.67,5.78,;2.67,7.31,;1.33,5,;1.33,3.47,;-4,-1.15,;-4,.38,;-5.33,1.15,;-5.33,2.69,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-8,-1.92,;-8,-3.46,;-6.67,-4.23,;-5.33,-3.47,;-5.33,-1.93,;-6.67,-5.77,;-6.67,-7.31,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615878
PNG
(US20230271954, Compound 177 | cis-8-((4-(((1,4-dio...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1COCCO1)c1ccc2OCOc2c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.67,-3.53,;-2.67,-1.99,;-1.33,-1.22,;,-1.99,;1.33,-1.22,;1.33,.32,;,1.09,;-1.33,.32,;2.67,1.09,;4,.32,;5.33,1.09,;5.33,2.63,;6.67,3.4,;8,2.63,;8,1.09,;6.67,.32,;2.67,2.63,;1.33,3.4,;1.33,4.94,;2.67,5.71,;2.99,7.22,;4.52,7.38,;5.15,5.97,;4,4.94,;4,3.4,;-4,-1.22,;-4,.32,;-2.67,1.09,;-1.33,1.86,;-5.33,1.09,;-5.33,2.63,;-6.67,.32,;-8,1.09,;-6.67,-1.22,;-8,-1.99,;-8,-3.53,;-6.67,-4.35,;-5.33,-3.53,;-5.33,-1.99,;-6.67,-5.89,;-6.67,-7.43,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM615878
PNG
(US20230271954, Compound 177 | cis-8-((4-(((1,4-dio...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1COCCO1)c1ccc2OCOc2c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.67,-3.53,;-2.67,-1.99,;-1.33,-1.22,;,-1.99,;1.33,-1.22,;1.33,.32,;,1.09,;-1.33,.32,;2.67,1.09,;4,.32,;5.33,1.09,;5.33,2.63,;6.67,3.4,;8,2.63,;8,1.09,;6.67,.32,;2.67,2.63,;1.33,3.4,;1.33,4.94,;2.67,5.71,;2.99,7.22,;4.52,7.38,;5.15,5.97,;4,4.94,;4,3.4,;-4,-1.22,;-4,.32,;-2.67,1.09,;-1.33,1.86,;-5.33,1.09,;-5.33,2.63,;-6.67,.32,;-8,1.09,;-6.67,-1.22,;-8,-1.99,;-8,-3.53,;-6.67,-4.35,;-5.33,-3.53,;-5.33,-1.99,;-6.67,-5.89,;-6.67,-7.43,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615902
PNG
(US20230271954, Compound 201 | cis-8-((-4-((4-fluor...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1C[C@H](O)C1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,wD:12.13,(-2.94,-3.47,;-2.94,-1.93,;-1.61,-1.15,;-.28,-1.93,;1.06,-1.15,;1.06,.38,;-.28,1.15,;-1.61,.38,;2.39,1.15,;3.72,.38,;5.06,1.15,;5.46,2.64,;6.94,2.24,;8.28,3.01,;6.55,.76,;2.39,2.69,;3.72,3.47,;3.72,5,;2.39,5.78,;2.39,7.31,;1.06,5,;1.06,3.47,;-4.28,-1.16,;-4.28,.38,;-2.94,1.15,;-1.61,1.92,;-5.61,1.15,;-5.61,2.69,;-6.94,.39,;-8.28,1.15,;-6.94,-1.15,;-8.28,-1.93,;-8.28,-3.47,;-6.94,-4.29,;-5.61,-3.47,;-5.61,-1.93,;-6.94,-5.83,;-6.94,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM615883
PNG
(US20230271954, Compound 182 | cis-8-((4-(((1,4-dio...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1COCCO1)c1ccc2OCCOc2c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.67,-3.85,;-2.67,-2.31,;-1.33,-1.54,;,-2.31,;1.33,-1.54,;1.33,,;,.77,;-1.33,,;2.67,.77,;4,,;5.33,.77,;5.33,2.31,;6.67,3.08,;8,2.31,;8,.77,;6.67,,;2.67,2.31,;1.33,3.08,;1.33,4.62,;2.67,5.39,;2.67,6.93,;4,7.7,;5.33,6.93,;5.33,5.39,;4,4.62,;4,3.08,;-4,-1.54,;-4,,;-2.67,.77,;-1.33,1.54,;-5.33,.77,;-5.33,2.31,;-6.67,,;-8,.77,;-6.67,-1.54,;-8,-2.31,;-8,-3.85,;-6.67,-4.68,;-5.33,-3.85,;-5.33,-2.31,;-6.67,-6.22,;-6.67,-7.76,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615904
PNG
(US20230271954, Compound 203 | cis-8-((-4-(((1,4-di...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1COCCO1)c1ccc(F)cc1)c1c(F)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.67,-3.47,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;1.33,.38,;,1.15,;-1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;2.67,2.69,;4,3.47,;4,5,;2.67,5.78,;2.67,7.31,;1.33,5,;1.33,3.47,;-4,-1.15,;-4,.38,;-2.67,1.15,;-5.33,1.15,;-5.33,2.69,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-8,-1.92,;-8,-3.46,;-6.67,-4.23,;-5.33,-3.47,;-5.33,-1.93,;-6.67,-5.77,;-6.67,-7.31,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615744
PNG
(US20230271954, Compound 43 | cis-8-((-4-((cyclobut...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1ccc(F)cc1)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.47,;-2.28,-1.93,;-.94,-1.16,;.39,-1.93,;1.72,-1.16,;1.72,.38,;.39,1.15,;-.94,.38,;3.06,1.15,;4.39,.38,;5.73,1.15,;7.21,.76,;7.61,2.24,;6.12,2.64,;3.06,2.69,;4.39,3.46,;4.39,5,;3.06,5.77,;3.06,7.31,;1.72,5,;1.72,3.46,;-3.61,-1.16,;-3.61,.38,;-4.94,1.15,;-4.94,2.69,;-6.28,.38,;-7.61,1.15,;-6.28,-1.16,;-7.61,-1.93,;-7.61,-3.47,;-6.28,-4.24,;-4.94,-3.47,;-4.94,-1.93,;-6.28,-5.78,;-6.28,-7.32,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615797
PNG
(US20230271954, Compound 96 | trans-6-chloro-4-((cy...)
Show SMILES CN([C@H]1CCC(CC1)N(CC1CC1)c1ccc(F)c(OC(F)F)c1)c1c(C#N)c(=O)n(C)c2ccc(Cl)nc12 |r,wU:2.1,(-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;1.33,-2.31,;,-3.08,;2.67,,;4,-.77,;5.33,,;6.87,,;6.1,1.33,;2.67,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;4,2.31,;-4,-2.31,;-5.3,-3.17,;-5.28,-4.71,;-5.25,-6.25,;-6.67,-2.31,;-8,-3.08,;-6.67,-.77,;-8,,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-1.33,2.31,;-2.67,,;-4,-.77,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615798
PNG
(US20230271954, Compound 97 | cis-8-4-(benzo[d][1,3...)
Show SMILES CN([C@H]1CCC(CC1)N(CC1CCC1)c1ccc2OCOc2c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:2.1,(-2.28,-4.68,;-2.28,-3.14,;-.94,-2.37,;-.94,-.83,;.39,-.06,;1.72,-.83,;1.72,-2.37,;.39,-3.14,;3.06,-.06,;4.39,-.83,;5.73,-.06,;7.21,-.46,;7.61,1.03,;6.12,1.42,;3.06,1.48,;1.72,2.25,;1.72,3.79,;3.06,4.56,;3.38,6.06,;4.91,6.22,;5.54,4.82,;4.39,3.79,;4.39,2.25,;-3.61,-2.37,;-4.9,-3.23,;-4.88,-4.77,;-4.86,-6.31,;-6.28,-2.37,;-7.61,-3.14,;-6.28,-.83,;-7.61,-.06,;-4.94,-.06,;-4.94,1.48,;-3.61,2.25,;-2.28,1.48,;-2.28,-.06,;-3.61,-.83,;-.94,2.25,;.39,3.02,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615800
PNG
(US20230271954, Compound 99 | cis-8-4-((cyclobutylm...)
Show SMILES CN([C@H]1CCC(CC1)N(CC1CCC1)c1ccc(C)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:2.1,(-2.28,-4.62,;-2.28,-3.08,;-.94,-2.31,;-.94,-.77,;.39,,;1.72,-.77,;1.72,-2.31,;.39,-3.08,;3.06,,;4.39,-.77,;5.73,,;7.21,-.4,;7.61,1.09,;6.12,1.49,;3.06,1.54,;1.72,2.31,;1.72,3.85,;3.06,4.62,;3.06,6.16,;4.39,3.85,;4.39,2.31,;-3.61,-2.31,;-4.9,-3.17,;-4.88,-4.71,;-4.86,-6.25,;-6.28,-2.31,;-7.61,-3.08,;-6.28,-.77,;-7.61,,;-4.94,,;-4.94,1.54,;-3.61,2.31,;-2.28,1.54,;-2.28,,;-3.61,-.77,;-.94,2.31,;.39,3.08,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615801
PNG
(US20230271954, Compound 100 | cis-8-4-((cyclobutyl...)
Show SMILES CN([C@H]1CCC(CC1)N(CC1CCC1)c1ccc(C)cc1)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:2.1,(-2.28,-5.39,;-2.28,-3.85,;-.94,-3.08,;-.94,-1.54,;.39,-.77,;1.72,-1.54,;1.72,-3.08,;.39,-3.85,;3.06,-.77,;4.39,-1.54,;5.73,-.77,;7.21,-1.17,;7.61,.32,;6.12,.72,;3.06,.77,;1.72,1.54,;1.72,3.08,;3.06,3.85,;3.06,5.39,;4.39,3.08,;4.39,1.54,;-3.61,-3.08,;-4.94,-3.85,;-6.28,-3.08,;-7.61,-3.85,;-6.28,-1.54,;-7.61,-.77,;-4.94,-.77,;-4.94,.77,;-3.61,1.54,;-2.28,.77,;-2.28,-.77,;-3.61,-1.54,;-.94,1.54,;.39,2.31,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615769
PNG
(US20230271954, Compound 68 | cis-8-4-((4-fluorophe...)
Show SMILES CN([C@H]1CC[C@H](CC1)N(C[C@H]1CCCOC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,2.1,10.10,(-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;1.33,-2.31,;,-3.08,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;8,1.54,;8,,;6.67,-.77,;2.67,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,3.85,;4,2.31,;-4,-2.31,;-5.29,-3.17,;-5.27,-4.71,;-5.25,-6.25,;-6.67,-2.31,;-8,-3.08,;-6.67,-.77,;-8,,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-1.33,2.31,;,3.08,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615803
PNG
(US20230271954, Compound 102 | cis-8-4-((cyclopropy...)
Show SMILES COc1cc(OC)cc(c1)N(CC1CC1)C1CC[C@@H](CC1)N(C)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:18.23,(-.77,4.62,;.56,5.39,;1.9,4.62,;3.23,5.39,;4.56,4.62,;5.9,5.39,;7.23,4.62,;4.56,3.08,;3.23,2.31,;1.9,3.08,;3.23,.77,;4.56,,;5.9,.77,;7.44,.77,;6.67,2.1,;1.9,,;.56,.77,;-.77,,;-.77,-1.54,;.56,-2.31,;1.9,-1.54,;-2.1,-2.31,;-2.1,-3.85,;-3.44,-1.54,;-4.73,-2.4,;-4.71,-3.94,;-4.69,-5.48,;-6.1,-1.54,;-7.44,-2.31,;-6.1,,;-7.44,.77,;-4.77,.77,;-4.77,2.31,;-3.44,3.08,;-2.1,2.31,;-2.1,.77,;-3.44,,;-.77,3.08,;.56,3.85,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615833
PNG
(US20230271954, Compound 132 | trans-4-((-4-(benzo[...)
Show SMILES CN([C@H]1CC[C@@H](CC1)N(CC1CCC1)c1cccc2OCOc12)c1c(C#N)c(=O)n(C)c2ccc(Cl)nc12 |r,wU:5.8,wD:2.1,(1.07,4.37,;1.07,2.83,;-.27,2.06,;-1.6,2.83,;-2.93,2.06,;-2.93,.52,;-1.6,-.25,;-.27,.52,;-4.27,-.25,;-5.6,.52,;-5.6,2.06,;-6.69,3.15,;-5.6,4.24,;-4.51,3.15,;-4.27,-1.79,;-2.93,-2.56,;-2.93,-4.1,;-4.27,-4.87,;-5.6,-4.1,;-7.07,-4.57,;-7.97,-3.33,;-7.07,-2.08,;-5.6,-2.56,;2.4,2.06,;2.4,.52,;1.07,-.25,;-.27,-1.02,;3.73,-.25,;3.73,-1.79,;5.07,.52,;6.4,-.25,;5.07,2.06,;6.4,2.83,;6.4,4.37,;5.07,5.14,;5.07,6.68,;3.73,4.37,;3.73,2.83,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615750
PNG
(US20230271954, Compound 49 | cis-8-((4-(cyclopropy...)
Show SMILES CN(C1CC[C@@H](CC1)N(C1CC1)c1ccc(F)cc1)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-1.44,-3.47,;-1.44,-1.93,;-.1,-1.16,;1.23,-1.93,;2.56,-1.16,;2.56,.38,;1.23,1.15,;-.1,.38,;3.9,1.15,;5.23,.38,;6.77,.38,;6,-.95,;3.9,2.69,;5.23,3.46,;5.23,5,;3.9,5.77,;3.9,7.31,;2.56,5,;2.56,3.46,;-2.77,-1.16,;-2.77,.38,;-4.1,1.15,;-4.1,2.69,;-5.44,.38,;-6.77,1.15,;-5.44,-1.16,;-6.77,-1.92,;-6.77,-3.46,;-5.44,-4.24,;-4.1,-3.47,;-4.1,-1.93,;-5.44,-5.78,;-5.44,-7.32,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615751
PNG
(US20230271954, Compound 50 | cis-8-((4-(cyclopropy...)
Show SMILES CN(C1CC[C@@H](CC1)N(C1CC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-1.44,-3.47,;-1.44,-1.93,;-.1,-1.16,;1.23,-1.93,;2.56,-1.16,;2.56,.38,;1.23,1.15,;-.1,.38,;3.9,1.15,;5.23,.38,;6.77,.38,;6,-.95,;3.9,2.69,;5.23,3.46,;5.23,5,;3.9,5.77,;3.9,7.31,;2.56,5,;2.56,3.46,;-2.77,-1.16,;-2.77,.38,;-1.44,1.15,;-.1,1.92,;-4.1,1.15,;-4.1,2.69,;-5.44,.38,;-6.77,1.15,;-5.44,-1.16,;-6.77,-1.93,;-6.77,-3.47,;-5.44,-4.29,;-4.1,-3.47,;-4.1,-1.93,;-5.44,-5.83,;-5.44,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615752
PNG
(US20230271954, Compound 51 | cis-6-chloro-4-((4-(c...)
Show SMILES CN(C1CC[C@@H](CC1)N(C1CC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(Cl)nc12 |r,wU:5.8,(-1.44,-4.24,;-1.44,-2.7,;-.1,-1.93,;1.23,-2.7,;2.56,-1.93,;2.56,-.39,;1.23,.38,;-.1,-.39,;3.9,.38,;5.23,-.39,;6.77,-.39,;6,-1.72,;3.9,1.92,;5.23,2.69,;5.23,4.23,;3.9,5,;3.9,6.54,;2.56,4.23,;2.56,2.69,;-2.77,-1.93,;-2.77,-.39,;-1.44,.38,;-.1,1.15,;-4.1,.38,;-4.1,1.92,;-5.44,-.39,;-6.77,.38,;-5.44,-1.93,;-6.77,-2.7,;-6.77,-4.24,;-5.44,-5.01,;-5.44,-6.54,;-4.1,-4.24,;-4.1,-2.7,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615842
PNG
(US20230271954, Compound 141 | trans-8-((-4-((cyclo...)
Show SMILES Cc1cc(F)ncc1N(CC1CCC1)[C@H]1CC[C@H](CNc2c(C#N)c(=O)n(C)c3ccc(nc23)C#N)CC1 |r,wU:17.19,wD:14.15,(4,-14.63,;2.67,-13.86,;1.33,-14.63,;,-13.86,;-1.33,-14.63,;,-12.32,;1.33,-11.55,;2.67,-12.32,;4,-11.55,;5.33,-12.32,;6.67,-11.55,;7.07,-10.06,;8.55,-10.46,;8.16,-11.95,;4,-10.01,;5.33,-9.24,;5.33,-7.7,;4,-6.93,;4,-5.39,;2.67,-4.62,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-3.85,;4,-.77,;5.33,,;2.67,,;2.67,1.54,;1.33,-.77,;;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;-2.67,-3.08,;-4,-3.85,;2.67,-7.7,;2.67,-9.24,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615731
PNG
(US20230271954, Compound 30 | cis-8-((4-((cycloprop...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.1,-3.47,;-2.1,-1.93,;-.77,-1.16,;.56,-1.93,;1.9,-1.16,;1.9,.38,;.56,1.15,;-.77,.38,;3.23,1.15,;4.56,.38,;5.9,1.15,;7.44,1.15,;6.67,2.49,;3.23,2.69,;4.56,3.46,;4.56,5,;3.23,5.77,;3.23,7.31,;1.9,5,;1.9,3.46,;-3.44,-1.16,;-3.44,.38,;-2.1,1.15,;-.77,1.92,;-4.77,1.15,;-4.77,2.69,;-6.1,.38,;-7.44,1.15,;-6.1,-1.16,;-7.44,-1.93,;-7.44,-3.47,;-6.1,-4.29,;-4.77,-3.47,;-4.77,-1.93,;-6.1,-5.83,;-6.1,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615753
PNG
(US20230271954, Compound 52 | cis-8-((-4-((4-fluoro...)
Show SMILES CC(C)CN([C@H]1CCC(CC1)N(C)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N)c1ccc(F)cc1 |r,wU:5.4,(7.34,.38,;6,1.15,;6,2.69,;4.67,.38,;3.33,1.15,;2,.38,;2,-1.16,;.67,-1.93,;-.67,-1.16,;-.67,.38,;.67,1.15,;-2,-1.93,;-2,-3.47,;-3.33,-1.16,;-3.33,.38,;-2,1.15,;-.67,1.92,;-4.67,1.15,;-4.67,2.69,;-6,.38,;-7.34,1.15,;-6,-1.16,;-7.34,-1.93,;-7.34,-3.47,;-6,-4.29,;-4.67,-3.47,;-4.67,-1.93,;-6,-5.83,;-6,-7.37,;3.33,2.69,;4.67,3.46,;4.67,5,;3.33,5.77,;3.33,7.31,;2,5,;2,3.46,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615844
PNG
(US20230271954, Compound 143 | cis-8-((-4-(benzo[d]...)
Show SMILES CN(C1CC[C@@H](CC1)N(C[C@H]1CCCOC1)c1ccc2OCOc2c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,wD:10.10,(-2.67,-3.53,;-2.67,-1.99,;-1.33,-1.22,;,-1.99,;1.33,-1.22,;1.33,.32,;,1.09,;-1.33,.32,;2.67,1.09,;4,.32,;5.33,1.09,;6.67,.32,;8,1.09,;8,2.63,;6.67,3.4,;5.33,2.63,;2.67,2.63,;1.33,3.4,;1.33,4.94,;2.67,5.71,;2.99,7.22,;4.52,7.38,;5.15,5.97,;4,4.94,;4,3.4,;-4,-1.22,;-4,.32,;-2.67,1.09,;-1.33,1.86,;-5.33,1.09,;-5.33,2.63,;-6.67,.32,;-8,1.09,;-6.67,-1.22,;-8,-1.99,;-8,-3.53,;-6.67,-4.35,;-5.33,-3.53,;-5.33,-1.99,;-6.67,-5.89,;-6.67,-7.43,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615756
PNG
(US20230271954, Compound 55 | cis-8-((4-((4-fluorop...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCOC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.55,-3.47,;-2.55,-1.93,;-1.22,-1.16,;.11,-1.93,;1.45,-1.16,;1.45,.38,;.11,1.15,;-1.22,.38,;2.78,1.15,;4.12,.38,;5.45,1.15,;6.86,.53,;7.89,1.67,;7.12,3.01,;5.61,2.69,;2.78,2.69,;4.12,3.46,;4.12,5,;2.78,5.77,;2.78,7.31,;1.45,5,;1.45,3.46,;-3.89,-1.16,;-3.89,.38,;-2.55,1.15,;-1.22,1.92,;-5.22,1.15,;-5.22,2.69,;-6.55,.38,;-7.89,1.15,;-6.55,-1.16,;-7.89,-1.93,;-7.89,-3.47,;-6.55,-4.29,;-5.22,-3.47,;-5.22,-1.93,;-6.55,-5.83,;-6.55,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615758
PNG
(US20230271954, Compound 57 | US20230271954, Compou...)
Show SMILES CN([C@H]1CCC(CC1)N(CC1CCCOC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:2.1,(-2.67,-3.47,;-2.67,-1.93,;-1.33,-1.15,;-1.33,.38,;,1.15,;1.33,.38,;1.33,-1.15,;,-1.93,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;2.67,2.69,;1.33,3.47,;1.33,5,;2.67,5.78,;2.67,7.31,;4,5,;4,3.47,;-4,-1.15,;-3.94,.46,;-2.61,1.24,;-1.29,2.03,;-5.33,1.15,;-5.33,2.69,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-8,-1.92,;-8,-3.46,;-6.67,-4.23,;-5.33,-3.47,;-5.33,-1.93,;-6.67,-5.77,;-6.67,-7.31,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615736
PNG
(US20230271954, Compound 35 | cis-8-((4-((4-chlorop...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CC1)c1ccc(Cl)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.1,-3.47,;-2.1,-1.93,;-.77,-1.16,;.56,-1.93,;1.9,-1.16,;1.9,.38,;.56,1.15,;-.77,.38,;3.23,1.15,;4.56,.38,;5.9,1.15,;7.44,1.15,;6.67,2.49,;3.23,2.69,;4.56,3.46,;4.56,5,;3.23,5.77,;3.23,7.31,;1.9,5,;1.9,3.46,;-3.44,-1.16,;-3.44,.38,;-2.1,1.15,;-.77,1.92,;-4.77,1.15,;-4.77,2.69,;-6.1,.38,;-7.44,1.15,;-6.1,-1.16,;-7.44,-1.93,;-7.44,-3.47,;-6.1,-4.29,;-4.77,-3.47,;-4.77,-1.93,;-6.1,-5.83,;-6.1,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615786
PNG
(US20230271954, Compound 85 | trans-6-chloro-4-4-((...)
Show SMILES COc1cc(cc(F)c1F)N(CC1CC1)C1CC[C@@H](CC1)N(C)c1c(C#N)c(=O)n(C)c2ccc(Cl)nc12 |r,wU:18.23,(.56,6.16,;.56,4.62,;1.9,3.85,;1.9,2.31,;3.23,1.54,;4.56,2.31,;4.56,3.85,;5.9,4.62,;3.23,4.62,;3.23,6.16,;3.23,,;4.56,-.77,;5.9,,;7.44,,;6.67,1.33,;1.9,-.77,;.56,,;-.77,-.77,;-.77,-2.31,;.56,-3.08,;1.9,-2.31,;-2.1,-3.08,;-2.1,-4.62,;-3.44,-2.31,;-4.73,-3.17,;-4.71,-4.71,;-4.69,-6.25,;-6.1,-2.31,;-7.44,-3.08,;-6.1,-.77,;-7.44,,;-4.77,,;-4.77,1.54,;-3.44,2.31,;-2.1,1.54,;-.77,2.31,;-2.1,,;-3.44,-.77,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615817
PNG
(US20230271954, Compound 116 | cis-8-((-4-(benzo[d]...)
Show SMILES CN([C@H]1CCC(CC1)N(CC1CCCOC1)c1ccc2OCOc2c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:2.1,(-2.67,-3.53,;-2.67,-1.99,;-1.33,-1.22,;-1.33,.32,;,1.09,;1.33,.32,;1.33,-1.22,;,-1.99,;2.67,1.09,;4,.32,;5.33,1.09,;6.67,.32,;8,1.09,;8,2.63,;6.67,3.4,;5.33,2.63,;2.67,2.63,;1.33,3.4,;1.33,4.94,;2.67,5.71,;2.99,7.22,;4.52,7.38,;5.15,5.97,;4,4.94,;4,3.4,;-4,-1.22,;-3.96,.39,;-2.63,1.18,;-1.31,1.96,;-5.33,1.09,;-5.33,2.63,;-6.67,.32,;-8,1.09,;-6.67,-1.22,;-8,-1.99,;-8,-3.53,;-6.67,-4.3,;-5.33,-3.53,;-5.33,-1.99,;-6.67,-5.84,;-6.67,-7.38,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615711
PNG
(US20230271954, Compound 10 | cis-6-chloro-4-((4-(c...)
Show SMILES CN(C1CC[C@@H](CC1)N(C1CCC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(Cl)nc12 |r,wU:5.8,(-1.61,-4.24,;-1.61,-2.7,;-.28,-1.93,;1.06,-2.7,;2.39,-1.93,;2.39,-.39,;1.06,.38,;-.28,-.39,;3.72,.38,;5.06,-.39,;5.46,-1.87,;6.94,-1.47,;6.55,.01,;3.72,1.92,;5.06,2.69,;5.06,4.23,;3.72,5,;3.72,6.54,;2.39,4.23,;2.39,2.69,;-2.94,-1.93,;-2.94,-.39,;-1.61,.38,;-.28,1.15,;-4.28,.38,;-4.28,1.92,;-5.61,-.39,;-6.94,.38,;-5.61,-1.93,;-6.94,-2.7,;-6.94,-4.24,;-5.61,-5.01,;-5.61,-6.54,;-4.28,-4.24,;-4.28,-2.7,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615792
PNG
(US20230271954, Compound 91 | cis-8-4-((cyclobutylm...)
Show SMILES CN([C@H]1CCC(CC1)N(CC1CCC1)c1ccc(F)c(C)c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:2.1,(-2.28,-4.62,;-2.28,-3.08,;-.94,-2.31,;-.94,-.77,;.39,,;1.72,-.77,;1.72,-2.31,;.39,-3.08,;3.06,,;4.39,-.77,;5.73,,;7.21,-.4,;7.61,1.09,;6.12,1.49,;3.06,1.54,;1.72,2.31,;1.72,3.85,;3.06,4.62,;3.06,6.16,;4.39,3.85,;5.73,4.62,;4.39,2.31,;-3.61,-2.31,;-4.9,-3.17,;-4.88,-4.71,;-4.86,-6.25,;-6.28,-2.31,;-7.61,-3.08,;-6.28,-.77,;-7.61,,;-4.94,,;-4.94,1.54,;-3.61,2.31,;-2.28,1.54,;-2.28,,;-3.61,-.77,;-.94,2.31,;.39,3.08,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615717
PNG
(US20230271954, Compound 16 | cis-6-chloro-4-((4-(c...)
Show SMILES CN(C1CC[C@@H](CC1)N(C1CCC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-1.61,-3.47,;-1.61,-1.93,;-.28,-1.16,;1.06,-1.93,;2.39,-1.16,;2.39,.38,;1.06,1.15,;-.28,.38,;3.72,1.15,;5.06,.38,;5.46,-1.1,;6.94,-.7,;6.55,.78,;3.72,2.69,;5.06,3.46,;5.06,5,;3.72,5.77,;3.72,7.31,;2.39,5,;2.39,3.46,;-2.94,-1.16,;-2.94,.38,;-1.61,1.15,;-.28,1.92,;-4.28,1.15,;-4.28,2.69,;-5.61,.38,;-6.94,1.15,;-5.61,-1.16,;-6.94,-1.93,;-6.94,-3.47,;-5.61,-4.29,;-4.28,-3.47,;-4.28,-1.93,;-5.61,-5.83,;-5.61,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615743
PNG
(US20230271954, Compound 42 | cis-8-((-4-((cyclobut...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.47,;-2.28,-1.93,;-.94,-1.16,;.39,-1.93,;1.72,-1.16,;1.72,.38,;.39,1.15,;-.94,.38,;3.06,1.15,;4.39,.38,;5.73,1.15,;7.21,.76,;7.61,2.24,;6.12,2.64,;3.06,2.69,;4.39,3.46,;4.39,5,;3.06,5.77,;3.06,7.31,;1.72,5,;1.72,3.46,;-3.61,-1.16,;-3.61,.38,;-2.28,1.15,;-.94,1.92,;-4.94,1.15,;-4.94,2.69,;-6.28,.38,;-7.61,1.15,;-6.28,-1.16,;-7.61,-1.93,;-7.61,-3.47,;-6.28,-4.29,;-4.94,-3.47,;-4.94,-1.93,;-6.28,-5.83,;-6.28,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615673
PNG
(US20230271954, Compound 3B | trans-6-chloro-4-((4-...)
Show SMILES Cn1c2ccc(Cl)nc2c(N[C@H]2CC[C@@H](CC2)N(CC2CC2)c2ccccc2)c(C#N)c1=O |r,wU:11.11,wD:14.18,(-1.05,6.93,;-1.05,5.39,;-2.39,4.62,;-3.72,5.39,;-5.05,4.62,;-5.05,3.08,;-6.39,2.31,;-3.72,2.31,;-2.39,3.08,;-1.05,2.31,;-1.05,.77,;.28,,;1.62,.77,;2.95,,;2.95,-1.54,;1.62,-2.31,;.28,-1.54,;4.28,-2.31,;5.62,-1.54,;5.62,,;4.85,1.33,;6.39,1.33,;4.28,-3.85,;2.95,-4.62,;2.95,-6.16,;4.28,-6.93,;5.62,-6.16,;5.62,-4.62,;.28,3.08,;1.62,2.31,;2.95,1.54,;.28,4.62,;1.62,5.39,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615674
PNG
(US20230271954, Compound 3C | trans-6-chloro-4-((4-...)
Show SMILES CN([C@H]1CC[C@@H](CC1)N(C1CC1)c1ccccc1)c1c(C#N)c(=O)n(C)c2ccc(Cl)nc12 |r,wU:2.1,wD:5.8,(-2.77,,;-1.44,.77,;-.1,,;1.23,.77,;2.56,,;2.56,-1.54,;1.23,-2.31,;-.1,-1.54,;3.9,-2.31,;5.23,-1.54,;6,-.21,;6.77,-1.54,;3.9,-3.85,;2.56,-4.62,;2.56,-6.16,;3.9,-6.93,;5.23,-6.16,;5.23,-4.62,;-1.44,2.31,;-.1,3.08,;1.23,2.31,;2.56,1.54,;-.1,4.62,;1.23,5.39,;-1.44,5.39,;-1.44,6.93,;-2.77,4.62,;-4.1,5.39,;-5.44,4.62,;-5.44,3.08,;-6.77,2.31,;-4.1,2.31,;-2.77,3.08,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615724
PNG
(US20230271954, Compound 23 | trans-6-chloro-4-((4-...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CC1)c1cccc(F)c1)c1c(C#N)c(=O)n(C)c2ccc(Cl)nc12 |r,wD:5.8,(-2.1,-3.47,;-2.1,-1.93,;-.77,-1.16,;-.77,.38,;.56,1.15,;1.9,.38,;1.9,-1.16,;.56,-1.93,;3.23,1.15,;4.56,.38,;5.9,1.15,;7.44,1.15,;6.67,2.49,;3.23,2.69,;1.9,3.46,;1.9,5,;3.23,5.77,;4.56,5,;5.9,5.77,;4.56,3.46,;-3.44,-1.16,;-3.44,.38,;-2.1,1.15,;-.77,1.92,;-4.77,1.15,;-4.77,2.69,;-6.1,.38,;-7.44,1.15,;-6.1,-1.16,;-7.44,-1.93,;-7.44,-3.47,;-6.1,-4.24,;-6.1,-5.77,;-4.77,-3.47,;-4.77,-1.93,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615725
PNG
(US20230271954, Compound 24 | cis-8-((4-((cycloprop...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CC1)c1cccc(F)c1)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.1,-2.7,;-2.1,-1.16,;-.77,-.39,;.56,-1.16,;1.9,-.39,;1.9,1.15,;.56,1.92,;-.77,1.15,;3.23,1.92,;4.56,1.15,;5.9,1.92,;7.44,1.92,;6.67,3.26,;3.23,3.46,;1.9,4.23,;1.9,5.77,;3.23,6.54,;4.56,5.77,;5.9,6.54,;4.56,4.23,;-3.44,-.39,;-3.44,1.15,;-4.77,1.92,;-4.77,3.46,;-6.1,1.15,;-7.44,1.92,;-6.1,-.39,;-7.44,-1.16,;-7.44,-2.7,;-6.1,-3.47,;-4.77,-2.7,;-4.77,-1.16,;-6.1,-5.01,;-6.1,-6.55,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM615861
PNG
(US20230271954, Compound 160 | cis-8-((-4-((cyclobu...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1cc2OCOc2cc1F)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.53,;-2.28,-1.99,;-.94,-1.22,;.39,-1.99,;1.72,-1.22,;1.72,.32,;.39,1.09,;-.94,.32,;3.06,1.09,;4.39,.32,;5.73,1.09,;7.21,.69,;7.61,2.18,;6.12,2.58,;3.06,2.63,;4.39,3.4,;4.39,4.94,;5.54,5.97,;4.91,7.38,;3.38,7.22,;3.06,5.71,;1.72,4.94,;1.72,3.4,;.39,2.63,;-3.61,-1.22,;-3.61,.32,;-2.28,1.09,;-.94,1.86,;-4.94,1.09,;-4.94,2.63,;-6.28,.32,;-7.61,1.09,;-6.28,-1.22,;-7.61,-1.99,;-7.61,-3.53,;-6.28,-4.35,;-4.94,-3.53,;-4.94,-1.99,;-6.28,-5.89,;-6.28,-7.43,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM615862
PNG
(US20230271954, Compound 161 | cis-8-((-4-((cyclobu...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1cc2OCOc2cc1F)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.53,;-2.28,-1.99,;-.94,-1.22,;.39,-1.99,;1.72,-1.22,;1.72,.32,;.39,1.09,;-.94,.32,;3.06,1.09,;4.39,.32,;5.73,1.09,;7.21,.69,;7.61,2.18,;6.12,2.58,;3.06,2.63,;4.39,3.4,;4.39,4.94,;5.54,5.97,;4.91,7.38,;3.38,7.22,;3.06,5.71,;1.72,4.94,;1.72,3.4,;.39,2.63,;-3.61,-1.22,;-3.61,.32,;-4.94,1.09,;-4.94,2.63,;-6.28,.32,;-7.61,1.09,;-6.28,-1.22,;-7.61,-1.99,;-7.61,-3.53,;-6.28,-4.3,;-4.94,-3.53,;-4.94,-1.99,;-6.28,-5.84,;-6.28,-7.38,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615906
PNG
(US20230271954, Compound 205 | cis-8-((-4-(((1,4-di...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1COCCO1)c1ccc(F)cc1F)c1c(F)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.67,-3.47,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;1.33,.38,;,1.15,;-1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;2.67,2.69,;4,3.47,;4,5,;2.67,5.78,;2.67,7.31,;1.33,5,;1.33,3.47,;,2.7,;-4,-1.15,;-4,.38,;-2.67,1.15,;-5.33,1.15,;-5.33,2.69,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-8,-1.92,;-8,-3.46,;-6.67,-4.23,;-5.33,-3.47,;-5.33,-1.93,;-6.67,-5.77,;-6.67,-7.31,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM615906
PNG
(US20230271954, Compound 205 | cis-8-((-4-(((1,4-di...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1COCCO1)c1ccc(F)cc1F)c1c(F)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.67,-3.47,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;1.33,.38,;,1.15,;-1.33,.38,;2.67,1.15,;4,.38,;5.33,1.15,;5.33,2.69,;6.67,3.47,;8,2.69,;8,1.15,;6.67,.38,;2.67,2.69,;4,3.47,;4,5,;2.67,5.78,;2.67,7.31,;1.33,5,;1.33,3.47,;,2.7,;-4,-1.15,;-4,.38,;-2.67,1.15,;-5.33,1.15,;-5.33,2.69,;-6.67,.38,;-8,1.15,;-6.67,-1.15,;-8,-1.92,;-8,-3.46,;-6.67,-4.23,;-5.33,-3.47,;-5.33,-1.93,;-6.67,-5.77,;-6.67,-7.31,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615907
PNG
(US20230271954, Compound 206 | cis-N-(4-((3,6-dicya...)
Show SMILES CN(C1CC[C@@H](CC1)N(C(=O)C1CC1)c1ccc(F)cc1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.1,-3.47,;-2.1,-1.93,;-.77,-1.15,;.56,-1.93,;1.9,-1.15,;1.9,.38,;.56,1.15,;-.77,.38,;3.23,1.15,;4.56,.38,;4.56,-1.15,;5.9,1.15,;6.67,2.49,;7.44,1.16,;3.23,2.69,;4.56,3.47,;4.56,5,;3.23,5.78,;3.23,7.31,;1.9,5,;1.9,3.47,;-3.44,-1.16,;-3.44,.38,;-2.1,1.15,;-.77,1.92,;-4.77,1.15,;-4.77,2.69,;-6.1,.39,;-7.44,1.15,;-6.1,-1.15,;-7.44,-1.93,;-7.44,-3.47,;-6.1,-4.29,;-4.77,-3.47,;-4.77,-1.93,;-6.1,-5.83,;-6.1,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM615868
PNG
(US20230271954, Compound 167 | trans-8-((-4-((4-flu...)
Show SMILES CN(C1CC[C@@H](CC1)N(C[C@H]1CCCO1)c1ccc(F)cc1C)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:10.10,wD:5.8,(-2.55,-3.47,;-2.55,-1.93,;-1.22,-1.15,;-1.22,.38,;.11,1.15,;1.45,.38,;1.45,-1.15,;.11,-1.93,;2.78,1.15,;4.12,.38,;5.45,1.15,;5.61,2.69,;7.12,3.01,;7.89,1.67,;6.86,.53,;2.78,2.69,;4.12,3.47,;4.12,5,;2.78,5.78,;2.78,7.31,;1.45,5,;1.45,3.47,;.11,2.7,;-3.89,-1.16,;-3.89,.38,;-2.55,1.15,;-1.22,1.92,;-5.22,1.15,;-5.22,2.69,;-6.55,.39,;-7.89,1.15,;-6.55,-1.15,;-7.89,-1.93,;-7.89,-3.47,;-6.55,-4.29,;-5.22,-3.47,;-5.22,-1.93,;-6.55,-5.83,;-6.55,-7.37,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615912
PNG
(US20230271954, Compound 211 | cis-8-((4-(((1,1-dio...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCS(=O)(=O)CC1)c1ccc(F)cc1)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-3.41,-3.47,;-3.41,-1.93,;-2.08,-1.15,;-.74,-1.93,;.59,-1.15,;.59,.38,;-.74,1.15,;-2.08,.38,;1.92,1.15,;3.26,.38,;4.59,1.15,;4.59,2.69,;5.92,3.47,;7.26,2.69,;8.03,4.03,;8.75,2.3,;7.26,1.15,;5.92,.39,;1.92,2.69,;3.26,3.47,;3.26,5,;1.92,5.78,;1.92,7.31,;.59,5,;.59,3.47,;-4.74,-1.15,;-4.74,.38,;-6.08,1.15,;-6.08,2.69,;-7.41,.38,;-8.75,1.15,;-7.41,-1.15,;-8.75,-1.92,;-8.75,-3.46,;-7.41,-4.23,;-6.08,-3.47,;-6.08,-1.93,;-7.41,-5.77,;-7.41,-7.31,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615870
PNG
(US20230271954, Compound 169 | cis-8-((4-((cyclobut...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1ccc2OCCOc2c1)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.85,;-2.28,-2.31,;-.94,-1.54,;.39,-2.31,;1.72,-1.54,;1.72,,;.39,.77,;-.94,,;3.06,.77,;4.39,,;5.73,.77,;7.21,.37,;7.61,1.86,;6.12,2.26,;3.06,2.31,;4.39,3.08,;4.39,4.62,;3.06,5.39,;3.06,6.93,;1.72,7.7,;.39,6.93,;.39,5.39,;1.72,4.62,;1.72,3.08,;-3.61,-1.54,;-3.61,,;-4.94,.77,;-4.94,2.31,;-6.28,,;-7.61,.77,;-6.28,-1.54,;-7.61,-2.31,;-7.61,-3.85,;-6.28,-4.62,;-4.94,-3.85,;-4.94,-2.31,;-6.28,-6.16,;-6.28,-7.7,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM615870
PNG
(US20230271954, Compound 169 | cis-8-((4-((cyclobut...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1ccc2OCCOc2c1)c1cc(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.85,;-2.28,-2.31,;-.94,-1.54,;.39,-2.31,;1.72,-1.54,;1.72,,;.39,.77,;-.94,,;3.06,.77,;4.39,,;5.73,.77,;7.21,.37,;7.61,1.86,;6.12,2.26,;3.06,2.31,;4.39,3.08,;4.39,4.62,;3.06,5.39,;3.06,6.93,;1.72,7.7,;.39,6.93,;.39,5.39,;1.72,4.62,;1.72,3.08,;-3.61,-1.54,;-3.61,,;-4.94,.77,;-4.94,2.31,;-6.28,,;-7.61,.77,;-6.28,-1.54,;-7.61,-2.31,;-7.61,-3.85,;-6.28,-4.62,;-4.94,-3.85,;-4.94,-2.31,;-6.28,-6.16,;-6.28,-7.7,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615871
PNG
(US20230271954, Compound 170 | cis-8-((4-((cyclobut...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1ccc2OCCOc2c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.85,;-2.28,-2.31,;-.94,-1.54,;.39,-2.31,;1.72,-1.54,;1.72,,;.39,.77,;-.94,,;3.06,.77,;4.39,,;5.73,.77,;7.21,.37,;7.61,1.86,;6.12,2.26,;3.06,2.31,;1.72,3.08,;1.72,4.62,;3.06,5.39,;3.06,6.93,;4.39,7.7,;5.73,6.93,;5.73,5.39,;4.39,4.62,;4.39,3.08,;-3.61,-1.54,;-3.61,,;-2.28,.77,;-.94,1.54,;-4.94,.77,;-4.94,2.31,;-6.28,,;-7.61,.77,;-6.28,-1.54,;-7.61,-2.31,;-7.61,-3.85,;-6.28,-4.68,;-4.94,-3.85,;-4.94,-2.31,;-6.28,-6.22,;-6.28,-7.76,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM615871
PNG
(US20230271954, Compound 170 | cis-8-((4-((cyclobut...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CCC1)c1ccc2OCCOc2c1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.28,-3.85,;-2.28,-2.31,;-.94,-1.54,;.39,-2.31,;1.72,-1.54,;1.72,,;.39,.77,;-.94,,;3.06,.77,;4.39,,;5.73,.77,;7.21,.37,;7.61,1.86,;6.12,2.26,;3.06,2.31,;1.72,3.08,;1.72,4.62,;3.06,5.39,;3.06,6.93,;4.39,7.7,;5.73,6.93,;5.73,5.39,;4.39,4.62,;4.39,3.08,;-3.61,-1.54,;-3.61,,;-2.28,.77,;-.94,1.54,;-4.94,.77,;-4.94,2.31,;-6.28,,;-7.61,.77,;-6.28,-1.54,;-7.61,-2.31,;-7.61,-3.85,;-6.28,-4.68,;-4.94,-3.85,;-4.94,-2.31,;-6.28,-6.22,;-6.28,-7.76,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM615914
PNG
(US20230271954, Compound 213 | cis-8-((-4-([1,3]dio...)
Show SMILES CN(C1CC[C@@H](CC1)N(CC1CC1)c1cc2OCOc2cn1)c1c(C#N)c(=O)n(C)c2ccc(nc12)C#N |r,wU:5.8,(-2.1,-3.53,;-2.1,-1.99,;-.77,-1.22,;.56,-1.99,;1.9,-1.22,;1.9,.32,;.56,1.09,;-.77,.32,;3.23,1.09,;4.56,.32,;5.9,1.09,;6.67,2.42,;7.44,1.09,;3.23,2.63,;4.56,3.4,;4.56,4.94,;5.71,5.97,;5.08,7.38,;3.55,7.22,;3.23,5.71,;1.9,4.94,;1.9,3.4,;-3.44,-1.22,;-3.44,.32,;-2.1,1.09,;-.77,1.86,;-4.77,1.09,;-4.77,2.63,;-6.1,.32,;-7.44,1.09,;-6.1,-1.22,;-7.44,-1.99,;-7.44,-3.53,;-6.1,-4.35,;-4.77,-3.53,;-4.77,-1.99,;-6.1,-5.89,;-6.1,-7.43,)|
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J Med Chem 50: 4214-21 (2007)


BindingDB Entry DOI: 10.7270/Q22B935K
More data for this
Ligand-Target Pair
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