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Compile Data Set for Download or QSAR

Found 44 hits from Cell Therapeutics, Inc   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144730
PNG
(6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(4-nitro-phenyl)...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(cc2)[N+]([O-])=O)nc(N)n1
Show InChI InChI=1S/C18H16ClN5O3/c1-2-27-16-8-3-11(19)9-14(16)15-10-17(23-18(20)22-15)21-12-4-6-13(7-5-12)24(25)26/h3-10H,2H2,1H3,(H3,20,21,22,23)
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n/an/a 10n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144700
PNG
(6-(5-Bromo-2-ethoxy-phenyl)-N*4*-(4-chloro-phenyl)...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
Show InChI InChI=1S/C18H16BrClN4O/c1-2-25-16-8-3-11(19)9-14(16)15-10-17(24-18(21)23-15)22-13-6-4-12(20)5-7-13/h3-10H,2H2,1H3,(H3,21,22,23,24)
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n/an/a 16n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144723
PNG
(4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C#N)nc(N)n1
Show InChI InChI=1S/C19H16BrN5O/c1-2-26-17-8-5-13(20)9-15(17)16-10-18(25-19(22)24-16)23-14-6-3-12(11-21)4-7-14/h3-10H,2H2,1H3,(H3,22,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144706
PNG
(6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(4-chloro-phenyl...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
Show InChI InChI=1S/C18H16Cl2N4O/c1-2-25-16-8-5-12(20)9-14(16)15-10-17(24-18(21)23-15)22-13-6-3-11(19)4-7-13/h3-10H,2H2,1H3,(H3,21,22,23,24)
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n/an/a 17n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144696
PNG
(6-(5-Bromo-2-methyl-phenyl)-N*4*-(4-bromo-phenyl)-...)
Show SMILES Cc1ccc(Br)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1
Show InChI InChI=1S/C17H14Br2N4/c1-10-2-3-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-4-11(18)5-7-13/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 18n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144694
PNG
(CHEMBL307716 | N*4*-(4-Chloro-phenyl)-6-(2,5-dichl...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)cc(n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C16H11Cl3N4/c17-9-1-4-11(5-2-9)21-15-8-14(22-16(20)23-15)12-7-10(18)3-6-13(12)19/h1-8H,(H3,20,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144714
PNG
(6-(5-Chloro-2-methyl-phenyl)-N*4*-(4-chloro-phenyl...)
Show SMILES Cc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
Show InChI InChI=1S/C17H14Cl2N4/c1-10-2-3-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-4-11(18)5-7-13/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 22n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144702
PNG
(6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(1H-indazol-6-yl...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2ccc3c[nH]nc3c2)nc(N)n1
Show InChI InChI=1S/C19H17ClN6O/c1-2-27-17-6-4-12(20)7-14(17)16-9-18(25-19(21)24-16)23-13-5-3-11-10-22-26-15(11)8-13/h3-10H,2H2,1H3,(H,22,26)(H3,21,23,24,25)
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n/an/a 24n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144725
PNG
(CHEMBL424605 | N*4*-(4-Bromo-phenyl)-6-(5-chloro-2...)
Show SMILES COc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1
Show InChI InChI=1S/C17H14BrClN4O/c1-24-15-7-4-11(19)8-13(15)14-9-16(23-17(20)22-14)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 28n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144715
PNG
(2-{4-[2-Amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimid...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1
Show InChI InChI=1S/C20H21ClN4O2/c1-2-27-18-8-5-14(21)11-16(18)17-12-19(25-20(22)24-17)23-15-6-3-13(4-7-15)9-10-26/h3-8,11-12,26H,2,9-10H2,1H3,(H3,22,23,24,25)
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n/an/a 28n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144727
PNG
(6-(5-Bromo-2-methyl-phenyl)-N*4*-(4-chloro-phenyl)...)
Show SMILES Cc1ccc(Br)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
Show InChI InChI=1S/C17H14BrClN4/c1-10-2-3-11(18)8-14(10)15-9-16(23-17(20)22-15)21-13-6-4-12(19)5-7-13/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 31n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144709
PNG
(1-{4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidi...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(C)=O)nc(N)n1
Show InChI InChI=1S/C20H19BrN4O2/c1-3-27-18-9-6-14(21)10-16(18)17-11-19(25-20(22)24-17)23-15-7-4-13(5-8-15)12(2)26/h4-11H,3H2,1-2H3,(H3,22,23,24,25)
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n/an/a 34n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144698
PNG
(CHEMBL73376 | N*4*-(4-Bromo-phenyl)-6-(5-chloro-2-...)
Show SMILES Cc1ccc(Cl)cc1-c1cc(Nc2ccc(Br)cc2)nc(N)n1
Show InChI InChI=1S/C17H14BrClN4/c1-10-2-5-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-3-11(18)4-7-13/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 34n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144724
PNG
(6-(5-Chloro-2-methoxy-phenyl)-N*4*-(4-chloro-pheny...)
Show SMILES COc1ccc(Cl)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
Show InChI InChI=1S/C17H14Cl2N4O/c1-24-15-7-4-11(19)8-13(15)14-9-16(23-17(20)22-14)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 54n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144722
PNG
(CHEMBL75522 | {4-[2-Amino-6-(5-chloro-2-ethoxy-phe...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CO)cc2)nc(N)n1
Show InChI InChI=1S/C19H19ClN4O2/c1-2-26-17-8-5-13(20)9-15(17)16-10-18(24-19(21)23-16)22-14-6-3-12(11-25)4-7-14/h3-10,25H,2,11H2,1H3,(H3,21,22,23,24)
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n/an/a 75n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144729
PNG
(6-(5-Chloro-2-methoxy-phenyl)-N*4*-(1H-indazol-6-y...)
Show SMILES COc1ccc(Cl)cc1-c1cc(Nc2ccc3c[nH]nc3c2)nc(N)n1
Show InChI InChI=1S/C18H15ClN6O/c1-26-16-5-3-11(19)6-13(16)15-8-17(24-18(20)23-15)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24)
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n/an/a 80n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144711
PNG
(1-{4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidi...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(C)N=O)nc(N)n1
Show InChI InChI=1S/C20H20BrN5O2/c1-3-28-18-9-6-14(21)10-16(18)17-11-19(25-20(22)24-17)23-15-7-4-13(5-8-15)12(2)26-27/h4-12H,3H2,1-2H3,(H3,22,23,24,25)
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n/an/a 84n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144734
PNG
(4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(=O)NO)nc(N)n1
Show InChI InChI=1S/C19H18BrN5O3/c1-2-28-16-8-5-12(20)9-14(16)15-10-17(24-19(21)23-15)22-13-6-3-11(4-7-13)18(26)25-27/h3-10,27H,2H2,1H3,(H,25,26)(H3,21,22,23,24)
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n/an/a 88n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144719
PNG
(6-(5-Bromo-2-ethoxy-phenyl)-N*4*-(4-dihydroxyboron...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)B(O)O)nc(N)n1
Show InChI InChI=1S/C18H18BBrN4O3/c1-2-27-16-8-5-12(20)9-14(16)15-10-17(24-18(21)23-15)22-13-6-3-11(4-7-13)19(25)26/h3-10,25-26H,2H2,1H3,(H3,21,22,23,24)
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n/an/a 91n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144699
PNG
(6-(5-Bromo-2-ethoxy-phenyl)-N*4*-phenyl-pyrimidine...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccccc2)nc(N)n1
Show InChI InChI=1S/C18H17BrN4O/c1-2-24-16-9-8-12(19)10-14(16)15-11-17(23-18(20)22-15)21-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H3,20,21,22,23)
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n/an/a 120n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144701
PNG
(6-(5-Chloro-2-methyl-phenyl)-N*4*-(4-trifluorometh...)
Show SMILES Cc1ccc(Cl)cc1-c1cc(Nc2ccc(cc2)C(F)(F)F)nc(N)n1
Show InChI InChI=1S/C18H14ClF3N4/c1-10-2-5-12(19)8-14(10)15-9-16(26-17(23)25-15)24-13-6-3-11(4-7-13)18(20,21)22/h2-9H,1H3,(H3,23,24,25,26)
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n/an/a 140n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144733
PNG
(CHEMBL73947 | N*4*-(4-Chloro-phenyl)-6-(5-fluoro-2...)
Show SMILES Cc1ccc(F)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
Show InChI InChI=1S/C17H14ClFN4/c1-10-2-5-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-6-3-11(18)4-7-13/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 150n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144712
PNG
(CHEMBL75714 | {4-[2-Amino-6-(5-bromo-2-ethoxy-phen...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(CC(O)=O)cc2)nc(N)n1
Show InChI InChI=1S/C20H19BrN4O3/c1-2-28-17-8-5-13(21)10-15(17)16-11-18(25-20(22)24-16)23-14-6-3-12(4-7-14)9-19(26)27/h3-8,10-11H,2,9H2,1H3,(H,26,27)(H3,22,23,24,25)
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n/an/a 210n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144707
PNG
(3-{4-[2-Amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimid...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCCO)cc2)nc(N)n1
Show InChI InChI=1S/C21H23ClN4O2/c1-2-28-19-10-7-15(22)12-17(19)18-13-20(26-21(23)25-18)24-16-8-5-14(6-9-16)4-3-11-27/h5-10,12-13,27H,2-4,11H2,1H3,(H3,23,24,25,26)
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n/an/a 230n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144721
PNG
(2-{4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidi...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(CC(=O)NO)cc2)nc(N)n1
Show InChI InChI=1S/C20H20BrN5O3/c1-2-29-17-8-5-13(21)10-15(17)16-11-18(25-20(22)24-16)23-14-6-3-12(4-7-14)9-19(27)26-28/h3-8,10-11,28H,2,9H2,1H3,(H,26,27)(H3,22,23,24,25)
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n/an/a 400n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144726
PNG
(2-[2-Amino-6-(4-chloro-phenylamino)-pyrimidin-4-yl...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)cc(n1)-c1cc(Br)ccc1O
Show InChI InChI=1S/C16H12BrClN4O/c17-9-1-6-14(23)12(7-9)13-8-15(22-16(19)21-13)20-11-4-2-10(18)3-5-11/h1-8,23H,(H3,19,20,21,22)
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n/an/a 450n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144705
PNG
(CHEMBL77790 | {4-[2-Amino-6-(5-chloro-2-ethoxy-phe...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CC(O)=O)cc2)nc(N)n1
Show InChI InChI=1S/C20H19ClN4O3/c1-2-28-17-8-5-13(21)10-15(17)16-11-18(25-20(22)24-16)23-14-6-3-12(4-7-14)9-19(26)27/h3-8,10-11H,2,9H2,1H3,(H,26,27)(H3,22,23,24,25)
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n/an/a 580n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144710
PNG
(CHEMBL305688 | N*4*-(3-Bromo-phenyl)-6-(5-chloro-2...)
Show SMILES Cc1ccc(Cl)cc1-c1cc(Nc2cccc(Br)c2)nc(N)n1
Show InChI InChI=1S/C17H14BrClN4/c1-10-5-6-12(19)8-14(10)15-9-16(23-17(20)22-15)21-13-4-2-3-11(18)7-13/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 610n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144718
PNG
(6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(3-nitro-phenyl)...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2cccc(c2)[N+]([O-])=O)nc(N)n1
Show InChI InChI=1S/C18H16ClN5O3/c1-2-27-16-7-6-11(19)8-14(16)15-10-17(23-18(20)22-15)21-12-4-3-5-13(9-12)24(25)26/h3-10H,2H2,1H3,(H3,20,21,22,23)
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n/an/a 640n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144708
PNG
(3-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2cccc(c2)C#N)nc(N)n1
Show InChI InChI=1S/C19H16BrN5O/c1-2-26-17-7-6-13(20)9-15(17)16-10-18(25-19(22)24-16)23-14-5-3-4-12(8-14)11-21/h3-10H,2H2,1H3,(H3,22,23,24,25)
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n/an/a 720n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144720
PNG
(4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(N)=O)nc(N)n1
Show InChI InChI=1S/C19H18BrN5O2/c1-2-27-16-8-5-12(20)9-14(16)15-10-17(25-19(22)24-15)23-13-6-3-11(4-7-13)18(21)26/h3-10H,2H2,1H3,(H2,21,26)(H3,22,23,24,25)
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n/an/a 750n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144695
PNG
(6-(5-Chloro-2-methoxy-phenyl)-N*2*-(1H-indazol-6-y...)
Show SMILES COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc3c[nH]nc3c2)n1
Show InChI InChI=1S/C18H15ClN6O/c1-26-16-5-3-11(19)6-13(16)15-8-17(20)24-18(23-15)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24)
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n/an/a 800n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144703
PNG
(1-{4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidi...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(\C)=N/OC)nc(N)n1
Show InChI InChI=1S/C21H22BrN5O2/c1-4-29-19-10-7-15(22)11-17(19)18-12-20(26-21(23)25-18)24-16-8-5-14(6-9-16)13(2)27-28-3/h5-12H,4H2,1-3H3,(H3,23,24,25,26)/b27-13-
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n/an/a 970n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144732
PNG
(CHEMBL75791 | N*4*-(4-Chloro-phenyl)-6-phenyl-pyri...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)cc(n1)-c1ccccc1
Show InChI InChI=1S/C16H13ClN4/c17-12-6-8-13(9-7-12)19-15-10-14(20-16(18)21-15)11-4-2-1-3-5-11/h1-10H,(H3,18,19,20,21)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144716
PNG
(2-(5-Chloro-2-methoxy-phenyl)-N-(1H-indazol-6-yl)-...)
Show SMILES COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc3c[nH]nc3c2)n1
Show InChI InChI=1S/C18H15ClN6O/c1-26-15-5-3-11(19)6-13(15)18-23-16(20)8-17(24-18)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144704
PNG
(CHEMBL74188 | N*2*-(4-Bromo-phenyl)-6-(5-chloro-2-...)
Show SMILES COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C17H14BrClN4O/c1-24-15-7-4-11(19)8-13(15)14-9-16(20)23-17(22-14)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144737
PNG
(4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(O)=O)nc(N)n1
Show InChI InChI=1S/C19H17BrN4O3/c1-2-27-16-8-5-12(20)9-14(16)15-10-17(24-19(21)23-15)22-13-6-3-11(4-7-13)18(25)26/h3-10H,2H2,1H3,(H,25,26)(H3,21,22,23,24)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144697
PNG
(6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(2-chloro-phenyl...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(Nc2ccccc2Cl)nc(N)n1
Show InChI InChI=1S/C18H16Cl2N4O/c1-2-25-16-8-7-11(19)9-12(16)15-10-17(24-18(21)23-15)22-14-6-4-3-5-13(14)20/h3-10H,2H2,1H3,(H3,21,22,23,24)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144736
PNG
(4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4...)
Show SMILES CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(N)=N)nc(N)n1
Show InChI InChI=1S/C19H19BrN6O/c1-2-27-16-8-5-12(20)9-14(16)15-10-17(26-19(23)25-15)24-13-6-3-11(4-7-13)18(21)22/h3-10H,2H2,1H3,(H3,21,22)(H3,23,24,25,26)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144713
PNG
(6-(5-Chloro-2-methoxy-phenyl)-N*2*-(4-chloro-pheny...)
Show SMILES COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C17H14Cl2N4O/c1-24-15-7-4-11(19)8-13(15)14-9-16(20)23-17(22-14)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144728
PNG
(2-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-...)
Show SMILES COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C17H14Cl2N4O/c1-24-14-7-4-11(19)8-13(14)17-22-15(20)9-16(23-17)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144735
PNG
(CHEMBL75889 | N-(4-Bromo-phenyl)-2-(5-chloro-2-met...)
Show SMILES COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C17H14BrClN4O/c1-24-14-7-4-11(19)8-13(14)17-22-15(20)9-16(23-17)21-12-5-2-10(18)3-6-12/h2-9H,1H3,(H3,20,21,22,23)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144717
PNG
(3-[2-Amino-6-(4-chloro-phenylamino)-pyrimidin-4-yl...)
Show SMILES Cc1ccc(O)cc1-c1cc(Nc2ccc(Cl)cc2)nc(N)n1
Show InChI InChI=1S/C17H15ClN4O/c1-10-2-7-13(23)8-14(10)15-9-16(22-17(19)21-15)20-12-5-3-11(18)4-6-12/h2-9,23H,1H3,(H3,19,20,21,22)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50144731
PNG
(2-[2-Amino-6-(4-chloro-phenylamino)-pyrimidin-4-yl...)
Show SMILES Nc1nc(Nc2ccc(Cl)cc2)cc(n1)-c1cc(Cl)ccc1O
Show InChI InChI=1S/C16H12Cl2N4O/c17-9-1-4-11(5-2-9)20-15-8-13(21-16(19)22-15)12-7-10(18)3-6-14(12)23/h1-8,23H,(H3,19,20,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Cell Therapeutics, Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 2303-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.104
BindingDB Entry DOI: 10.7270/Q2Q23ZPH
More data for this
Ligand-Target Pair