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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 300.2
BDBM50141286
Wt: 286.7
BDBM50141252
Wt: 296.3
BDBM50141293
Wt: 316.7
BDBM50141295
Wt: 307.3
BDBM50141296
Wt: 300.7
BDBM50141305
Purchase
Wt: 316.7
BDBM50141307
Wt: 316.7
BDBM50141245
Wt: 302.7
BDBM50141248
Wt: 282.2
BDBM50141253
Wt: 314.7
BDBM50141260
Purchase
Wt: 312.3
BDBM50141267
Wt: 316.7
BDBM50141270
Wt: 240.3
BDBM50141278
Purchase
Wt: 296.7
BDBM50144732
Displayed 1 to 15 (of 123 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 19 hits in this display   
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
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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141245
PNG
(CHEMBL34636 | [4-Chloro-3-(6-methyl-benzooxazol-2-...)
Show SMILES COC(=O)Nc1ccc(Cl)c(c1)-c1nc2ccc(C)cc2o1
Show InChI InChI=1S/C16H13ClN2O3/c1-9-3-6-13-14(7-9)22-15(19-13)11-8-10(4-5-12(11)17)18-16(20)21-2/h3-8H,1-2H3,(H,18,20)
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n/an/a 400n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141248
PNG
((3-Benzooxazol-2-yl-4-chloro-phenyl)-carbamic acid...)
Show SMILES COC(=O)Nc1ccc(Cl)c(c1)-c1nc2ccccc2o1
Show InChI InChI=1S/C15H11ClN2O3/c1-20-15(19)17-9-6-7-11(16)10(8-9)14-18-12-4-2-3-5-13(12)21-14/h2-8H,1H3,(H,17,19)
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n/an/a 500n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141295
PNG
(CHEMBL286185 | [3-(5-Chloro-benzooxazol-2-yl)-4-me...)
Show SMILES COC(=O)Nc1ccc(C)c(c1)-c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C16H13ClN2O3/c1-9-3-5-11(18-16(20)21-2)8-12(9)15-19-13-7-10(17)4-6-14(13)22-15/h3-8H,1-2H3,(H,18,20)
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n/an/a 550n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141307
PNG
(CHEMBL35001 | [4-Chloro-3-(5-methyl-benzooxazol-2-...)
Show SMILES COC(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C16H13ClN2O3/c1-9-3-6-14-13(7-9)19-15(22-14)11-8-10(4-5-12(11)17)18-16(20)21-2/h3-8H,1-2H3,(H,18,20)
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n/an/a 1.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
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)
BDBM50141293
PNG
(CHEMBL34140 | [4-Methyl-3-(5-methyl-benzooxazol-2-...)
Show SMILES COC(=O)Nc1ccc(C)c(c1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C17H16N2O3/c1-10-4-7-15-14(8-10)19-16(22-15)13-9-12(6-5-11(13)2)18-17(20)21-3/h4-9H,1-3H3,(H,18,20)
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n/an/a 1.50E+3n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141260
PNG
(CHEMBL34749 | N-[4-Chloro-3-(5-methyl-benzooxazol-...)
Show SMILES CCC(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C17H15ClN2O2/c1-3-16(21)19-11-5-6-13(18)12(9-11)17-20-14-8-10(2)4-7-15(14)22-17/h4-9H,3H2,1-2H3,(H,19,21)
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n/an/a 1.50E+3n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141305
PNG
(CHEMBL35481 | N-[4-Chloro-3-(5-methyl-benzooxazol-...)
Show SMILES CC(=O)Nc1ccc(Cl)c(c1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C16H13ClN2O2/c1-9-3-6-15-14(7-9)19-16(21-15)12-8-11(18-10(2)20)4-5-13(12)17/h3-8H,1-2H3,(H,18,20)
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n/an/a 2.50E+3n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141252
PNG
(CHEMBL289005 | N-[4-Chloro-3-(5-methyl-benzooxazol...)
Show SMILES Cc1ccc2oc(nc2c1)-c1cc(NC=O)ccc1Cl
Show InChI InChI=1S/C15H11ClN2O2/c1-9-2-5-14-13(6-9)18-15(20-14)11-7-10(17-8-19)3-4-12(11)16/h2-8H,1H3,(H,17,19)
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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 concentration against human lysophosphatidic acid acyltransferase-beta (LPAAT-beta) expressed in Sf9 insect cell membranes


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


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141270
PNG
(CHEMBL34077 | N-[4-Chloro-3-(5-methyl-benzooxazol-...)
Show SMILES Cc1ccc2oc(nc2c1)-c1cc(NC(=O)CO)ccc1Cl
Show InChI InChI=1S/C16H13ClN2O3/c1-9-2-5-14-13(6-9)19-16(22-14)11-7-10(3-4-12(11)17)18-15(21)8-20/h2-7,20H,8H2,1H3,(H,18,21)
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n/an/a 3.10E+4n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141278
PNG
(2-(4-Amino-3-methylphenyl)benzothiazole | 4-(3H-1l...)
Show SMILES Cc1cc(ccc1N)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
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n/an/a>4.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141286
PNG
(CHEMBL35254 | [4-Fluoro-3-(5-methyl-benzooxazol-2-...)
Show SMILES COC(=O)Nc1ccc(F)c(c1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C16H13FN2O3/c1-9-3-6-14-13(7-9)19-15(22-14)11-8-10(4-5-12(11)17)18-16(20)21-2/h3-8H,1-2H3,(H,18,20)
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n/an/a>6.40E+4n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141253
PNG
(CHEMBL35255 | [3-(5-Methyl-benzooxazol-2-yl)-pheny...)
Show SMILES COC(=O)Nc1cccc(c1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C16H14N2O3/c1-10-6-7-14-13(8-10)18-15(21-14)11-4-3-5-12(9-11)17-16(19)20-2/h3-9H,1-2H3,(H,17,19)
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n/an/a>6.40E+4n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
1-acylglycerol-3-phosphate O-acyltransferase beta


(Homo sapiens)
BDBM50141267
PNG
(CHEMBL35211 | [4-Methoxy-3-(5-methyl-benzooxazol-2...)
Show SMILES COC(=O)Nc1ccc(OC)c(c1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C17H16N2O4/c1-10-4-6-15-13(8-10)19-16(23-15)12-9-11(18-17(20)22-3)5-7-14(12)21-2/h4-9H,1-3H3,(H,18,20)
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n/an/a 6.40E+4n/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)


Article DOI: 10.1016/j.bmcl.2004.01.023
BindingDB Entry DOI: 10.7270/Q20Z72Q5
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50141278
PNG
(2-(4-Amino-3-methylphenyl)benzothiazole | 4-(3H-1l...)
Show SMILES Cc1cc(ccc1N)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
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n/an/a 6.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2TX3D2C
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM50141278
PNG
(2-(4-Amino-3-methylphenyl)benzothiazole | 4-(3H-1l...)
Show SMILES Cc1cc(ccc1N)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
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n/an/a 6.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2736PK0
More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM50141278
PNG
(2-(4-Amino-3-methylphenyl)benzothiazole | 4-(3H-1l...)
Show SMILES Cc1cc(ccc1N)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (Human))
BDBM50141278
PNG
(2-(4-Amino-3-methylphenyl)benzothiazole | 4-(3H-1l...)
Show SMILES Cc1cc(ccc1N)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
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n/an/an/an/a 6.76E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair