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Compile Data Set for Download or QSAR

Found 131 hits Enz. Inhib. hit(s) with Target = '1-acylglycerol-3-phosphate O-acyltransferase beta' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141250
PNG
(CHEMBL34896 | [4-Chloro-3-(5-chloro-benzothiazol-2...)
Show SMILES Clc1ccc2sc(nc2c1)-c1cc(NC(=O)OCC#C)ccc1Cl
Show InChI InChI=1S/C17H10Cl2N2O2S/c1-2-7-23-17(22)20-11-4-5-13(19)12(9-11)16-21-14-8-10(18)3-6-15(14)24-16/h1,3-6,8-9H,7H2,(H,20,22)
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n/an/a 6n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
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)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141306
PNG
(CHEMBL286394 | N-[4-Chloro-3-(5-chloro-benzothiazo...)
Show SMILES Clc1ccc2sc(nc2c1)-c1cc(NC(=O)CC#N)ccc1Cl
Show InChI InChI=1S/C16H9Cl2N3OS/c17-9-1-4-14-13(7-9)21-16(23-14)11-8-10(2-3-12(11)18)20-15(22)5-6-19/h1-4,7-8H,5H2,(H,20,22)
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n/an/a 15n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141255
PNG
(CHEMBL35508 | [3-(5-Chloro-benzothiazol-2-yl)-4-me...)
Show SMILES Cc1ccc(NC(=O)OCC#C)cc1-c1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C18H13ClN2O2S/c1-3-8-23-18(22)20-13-6-4-11(2)14(10-13)17-21-15-9-12(19)5-7-16(15)24-17/h1,4-7,9-10H,8H2,2H3,(H,20,22)
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n/an/a 15n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141246
PNG
(CHEMBL35388 | [4-Chloro-3-(5-trifluoromethyl-benzo...)
Show SMILES FC(F)(F)c1ccc2sc(nc2c1)-c1cc(NC(=O)OCC#C)ccc1Cl
Show InChI InChI=1S/C18H10ClF3N2O2S/c1-2-7-26-17(25)23-11-4-5-13(19)12(9-11)16-24-14-8-10(18(20,21)22)3-6-15(14)27-16/h1,3-6,8-9H,7H2,(H,23,25)
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n/an/a 15n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

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)

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)

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)

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 enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141254
PNG
(CHEMBL422579 | N-[4-Chloro-3-(5-chloro-benzooxazol...)
Show SMILES Clc1ccc2oc(nc2c1)-c1cc(NC(=O)CC#N)ccc1Cl
Show InChI InChI=1S/C16H9Cl2N3O2/c17-9-1-4-14-13(7-9)21-16(23-14)11-8-10(2-3-12(11)18)20-15(22)5-6-19/h1-4,7-8H,5H2,(H,20,22)
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n/an/a 27n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141279
PNG
(CHEMBL32894 | [4-Chloro-3-(5-chloro-benzooxazol-2-...)
Show SMILES Clc1ccc2oc(nc2c1)-c1cc(NC(=O)OCC#C)ccc1Cl
Show InChI InChI=1S/C17H10Cl2N2O3/c1-2-7-23-17(22)20-11-4-5-13(19)12(9-11)16-21-14-8-10(18)3-6-15(14)24-16/h1,3-6,8-9H,7H2,(H,20,22)
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n/an/a 35n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50172956
PNG
(4-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-...)
Show SMILES COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C18H15Cl2N3O/c1-24-16-7-4-13(20)10-15(16)11-8-17(21)23-18(9-11)22-14-5-2-12(19)3-6-14/h2-10H,1H3,(H3,21,22,23)
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n/an/a 40n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141269
PNG
(CHEMBL284111 | [4-Chloro-3-(5-chloro-benzothiazol-...)
Show SMILES COC(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C15H10Cl2N2O2S/c1-21-15(20)18-9-3-4-11(17)10(7-9)14-19-12-6-8(16)2-5-13(12)22-14/h2-7H,1H3,(H,18,20)
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n/an/a 40n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50172951
PNG
(6-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-...)
Show SMILES COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H13Cl2N5O/c1-24-13-7-4-10(18)8-12(13)14-21-15(19)23-16(22-14)20-11-5-2-9(17)3-6-11/h2-8H,1H3,(H3,19,20,21,22,23)
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n/an/a 45n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141251
PNG
((3-Benzooxazol-2-yl-4-chloro-phenyl)-carbamic acid...)
Show SMILES Clc1ccc(NC(=O)OCC#C)cc1-c1nc2ccccc2o1
Show InChI InChI=1S/C17H11ClN2O3/c1-2-9-22-17(21)19-11-7-8-13(18)12(10-11)16-20-14-5-3-4-6-15(14)23-16/h1,3-8,10H,9H2,(H,19,21)
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n/an/a 50n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50172950
PNG
(4-[6-Amino-4-(5-chloro-2-ethoxy-phenyl)-pyridin-2-...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C=O)cc2)c1
Show InChI InChI=1S/C20H18ClN3O2/c1-2-26-18-8-5-15(21)11-17(18)14-9-19(22)24-20(10-14)23-16-6-3-13(12-25)4-7-16/h3-12H,2H2,1H3,(H3,22,23,24)
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n/an/a 50n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50172955
PNG
(4-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-p...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H17Cl2N3O/c1-2-25-17-8-5-14(21)11-16(17)12-9-18(22)24-19(10-12)23-15-6-3-13(20)4-7-15/h3-11H,2H2,1H3,(H3,22,23,24)
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n/an/a 50n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141297
PNG
(CHEMBL35564 | N-[4-Chloro-3-(5-trifluoromethyl-ben...)
Show SMILES FC(F)(F)c1ccc2sc(nc2c1)-c1cc(NC(=O)CC#N)ccc1Cl
Show InChI InChI=1S/C17H9ClF3N3OS/c18-12-3-2-10(23-15(25)5-6-22)8-11(12)16-24-13-7-9(17(19,20)21)1-4-14(13)26-16/h1-4,7-8H,5H2,(H,23,25)
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n/an/a 50n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

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)

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 enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141258
PNG
(CHEMBL418604 | [4-Chloro-3-(5-chloro-1-methyl-1H-b...)
Show SMILES Cn1c(nc2cc(Cl)ccc12)-c1cc(NC(=O)OCC#C)ccc1Cl
Show InChI InChI=1S/C18H13Cl2N3O2/c1-3-8-25-18(24)21-12-5-6-14(20)13(10-12)17-22-15-9-11(19)4-7-16(15)23(17)2/h1,4-7,9-10H,8H2,2H3,(H,21,24)
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n/an/a 60n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141287
PNG
(CHEMBL36501 | CT-32228 | N-(4-Bromo-phenyl)-6-(5-c...)
Show SMILES Cc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Br)cc2)n1
Show InChI InChI=1S/C16H13BrClN5/c1-9-2-5-11(18)8-13(9)14-21-15(19)23-16(22-14)20-12-6-3-10(17)4-7-12/h2-8H,1H3,(H3,19,20,21,22,23)
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n/an/a 60n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50172951
PNG
(6-(5-Chloro-2-methoxy-phenyl)-N-(4-chloro-phenyl)-...)
Show SMILES COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H13Cl2N5O/c1-24-13-7-4-10(18)8-12(13)14-21-15(19)23-16(22-14)20-11-5-2-9(17)3-6-11/h2-8H,1H3,(H3,19,20,21,22,23)
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n/an/a 70n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141296
PNG
(CHEMBL32731 | N-(3-Benzothiazol-2-yl-4-methyl-phen...)
Show SMILES Cc1ccc(NC(=O)CC#N)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C17H13N3OS/c1-11-6-7-12(19-16(21)8-9-18)10-13(11)17-20-14-4-2-3-5-15(14)22-17/h2-7,10H,8H2,1H3,(H,19,21)
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n/an/a 70n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

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)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141291
PNG
(CHEMBL32553 | [4-Chloro-3-(5-chloro-benzooxazol-2-...)
Show SMILES Clc1ccc2oc(nc2c1)-c1cc(NC(=O)OCCC#C)ccc1Cl
Show InChI InChI=1S/C18H12Cl2N2O3/c1-2-3-8-24-18(23)21-12-5-6-14(20)13(10-12)17-22-15-9-11(19)4-7-16(15)25-17/h1,4-7,9-10H,3,8H2,(H,21,23)
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n/an/a 75n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141283
PNG
(CHEMBL286639 | [4-Chloro-3-(5-chloro-benzooxazol-2...)
Show SMILES CC#CCOC(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C18H12Cl2N2O3/c1-2-3-8-24-18(23)21-12-5-6-14(20)13(10-12)17-22-15-9-11(19)4-7-16(15)25-17/h4-7,9-10H,8H2,1H3,(H,21,23)
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n/an/a 75n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50172952
PNG
(CHEMBL193588 | {4-[6-Amino-4-(5-chloro-2-ethoxy-ph...)
Show SMILES CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(CO)cc2)c1
Show InChI InChI=1S/C20H20ClN3O2/c1-2-26-18-8-5-15(21)11-17(18)14-9-19(22)24-20(10-14)23-16-6-3-13(12-25)4-7-16/h3-11,25H,2,12H2,1H3,(H3,22,23,24)
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n/an/a 99n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Lysophosphatidic acid acyltransferase-beta enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141280
PNG
(CHEMBL33773 | [3-(5-Chloro-benzooxazol-2-yl)-4-met...)
Show SMILES Cc1ccc(NC(=O)OCC#C)cc1-c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C18H13ClN2O3/c1-3-8-23-18(22)20-13-6-4-11(2)14(10-13)17-21-15-9-12(19)5-7-16(15)24-17/h1,4-7,9-10H,8H2,2H3,(H,20,22)
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n/an/a 100n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141272
PNG
(1-[4-Chloro-3-(5-chloro-benzooxazol-2-yl)-phenyl]-...)
Show SMILES Clc1ccc2oc(nc2c1)-c1cc(NC(=O)NCC#C)ccc1Cl
Show InChI InChI=1S/C17H11Cl2N3O2/c1-2-7-20-17(23)21-11-4-5-13(19)12(9-11)16-22-14-8-10(18)3-6-15(14)24-16/h1,3-6,8-9H,7H2,(H2,20,21,23)
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n/an/a 100n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141281
PNG
(CHEMBL35006 | N-[4-Chloro-3-(5-methyl-benzooxazol-...)
Show SMILES Cc1ccc2oc(nc2c1)-c1cc(NC(=O)CC#N)ccc1Cl
Show InChI InChI=1S/C17H12ClN3O2/c1-10-2-5-15-14(8-10)21-17(23-15)12-9-11(3-4-13(12)18)20-16(22)6-7-19/h2-5,8-9H,6H2,1H3,(H,20,22)
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n/an/a 100n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141308
PNG
(CHEMBL418404 | Pent-4-ynoic acid [4-chloro-3-(5-ch...)
Show SMILES Clc1ccc2oc(nc2c1)-c1cc(NC(=O)CCC#C)ccc1Cl
Show InChI InChI=1S/C18H12Cl2N2O2/c1-2-3-4-17(23)21-12-6-7-14(20)13(10-12)18-22-15-9-11(19)5-8-16(15)24-18/h1,5-10H,3-4H2,(H,21,23)
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n/an/a 100n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

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)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141290
PNG
(CHEMBL34938 | [4-Chloro-3-(1-methyl-5-trifluoromet...)
Show SMILES Cn1c(nc2cc(ccc12)C(F)(F)F)-c1cc(NC(=O)OCC#C)ccc1Cl
Show InChI InChI=1S/C19H13ClF3N3O2/c1-3-8-28-18(27)24-12-5-6-14(20)13(10-12)17-25-15-9-11(19(21,22)23)4-7-16(15)26(17)2/h1,4-7,9-10H,8H2,2H3,(H,24,27)
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n/an/a 120n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50172949
PNG
(6-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-[...)
Show SMILES CCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C17H15Cl2N5O/c1-2-25-14-8-5-11(19)9-13(14)15-22-16(20)24-17(23-15)21-12-6-3-10(18)4-7-12/h3-9H,2H2,1H3,(H3,20,21,22,23,24)
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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 enzyme overexpressed in Sf9 insect cell membrane


Bioorg Med Chem Lett 15: 4703-7 (2005)

More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141284
PNG
(CHEMBL35051 | [4-Chloro-3-(5-trifluoromethyl-benzo...)
Show SMILES FC(F)(F)c1ccc2oc(nc2c1)-c1cc(NC(=O)OCC#C)ccc1Cl
Show InChI InChI=1S/C18H10ClF3N2O3/c1-2-7-26-17(25)23-11-4-5-13(19)12(9-11)16-24-14-8-10(18(20,21)22)3-6-15(14)27-16/h1,3-6,8-9H,7H2,(H,23,25)
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n/an/a 140n/an/an/an/an/an/a



Cell Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


Bioorg Med Chem Lett 14: 1455-9 (2004)

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)

More data for this
Ligand-Target Pair
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