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14 similar compounds to monomer 24567

Compile data set for download or QSAR
Wt: 395.5
BDBM24570
Wt: 397.5
BDBM24571
Purchase
Wt: 493.7
BDBM24573
Wt: 495.7
BDBM24590
Wt: 523.7
BDBM24591
Purchase
Wt: 523.7
BDBM24593
Wt: 425.6
BDBM24594
Wt: 425.6
BDBM24596
Wt: 495.7
BDBM24988
Purchase
Wt: 453.6
BDBM50274019
Wt: 481.7
BDBM50274021
Purchase
Wt: 495.7
BDBM50274180
Wt: 479.6
BDBM50274182
Wt: 495.7
BDBM50274723
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 24570,24571,24573,24590,24591,24593,24594,24596,24988,50274019,50274021,50274180,50274182,50274723   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24988
PNG
(1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formam...)
Show SMILES CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)
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300 -9.25n/an/an/an/an/a7.537



Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


Mol Cancer Ther 6: 2120-6 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0187
BindingDB Entry DOI: 10.7270/Q2F769V8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274182
PNG
(CHEMBL484392 | N-Formyl-L-proline-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCCN1C=O
Show InChI InChI=1S/C28H49NO5/c1-3-5-7-9-10-11-12-13-14-17-23(33-28(32)25-19-16-20-29(25)22-30)21-26-24(27(31)34-26)18-15-8-6-4-2/h22-26H,3-21H2,1-2H3/t23-,24-,25-,26-/m0/s1
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1.70E+3n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274019
PNG
(CHEMBL516323 | N-Formyl-L-alanine-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](C)NC=O
Show InChI InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)21(3)27-20-28)19-24-23(26(30)32-24)18-16-9-7-5-2/h20-24H,4-19H2,1-3H3,(H,27,28)/t21-,22-,23-,24-/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274021
PNG
(CHEMBL457232 | N-Formyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)C
Show InChI InChI=1S/C28H51NO5/c1-5-7-9-11-12-13-14-15-16-18-23(33-28(32)26(22(3)4)29-21-30)20-25-24(27(31)34-25)19-17-10-8-6-2/h21-26H,5-20H2,1-4H3,(H,29,30)/t23-,24-,25-,26-/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50274180
PNG
(CHEMBL521157 | N-Formyl-L-isoleucine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24-,25-,26-,27-/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50274182
PNG
(CHEMBL484392 | N-Formyl-L-proline-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCCN1C=O
Show InChI InChI=1S/C28H49NO5/c1-3-5-7-9-10-11-12-13-14-17-23(33-28(32)25-19-16-20-29(25)22-30)21-26-24(27(31)34-26)18-15-8-6-4-2/h22-26H,3-21H2,1-2H3/t23-,24-,25-,26-/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50274019
PNG
(CHEMBL516323 | N-Formyl-L-alanine-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](C)NC=O
Show InChI InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)21(3)27-20-28)19-24-23(26(30)32-24)18-16-9-7-5-2/h20-24H,4-19H2,1-3H3,(H,27,28)/t21-,22-,23-,24-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50274021
PNG
(CHEMBL457232 | N-Formyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)C
Show InChI InChI=1S/C28H51NO5/c1-5-7-9-11-12-13-14-15-16-18-23(33-28(32)26(22(3)4)29-21-30)20-25-24(27(31)34-25)19-17-10-8-6-2/h21-26H,5-20H2,1-4H3,(H,29,30)/t23-,24-,25-,26-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50274180
PNG
(CHEMBL521157 | N-Formyl-L-isoleucine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24-,25-,26-,27-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50274180
PNG
(CHEMBL521157 | N-Formyl-L-isoleucine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24-,25-,26-,27-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAGLalpha-mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG overexpressed in african green monkey ...


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50274021
PNG
(CHEMBL457232 | N-Formyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)C
Show InChI InChI=1S/C28H51NO5/c1-5-7-9-11-12-13-14-15-16-18-23(33-28(32)26(22(3)4)29-21-30)20-25-24(27(31)34-25)19-17-10-8-6-2/h21-26H,5-20H2,1-4H3,(H,29,30)/t23-,24-,25-,26-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAGLalpha-mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG overexpressed in african green monkey ...


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50274019
PNG
(CHEMBL516323 | N-Formyl-L-alanine-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](C)NC=O
Show InChI InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)21(3)27-20-28)19-24-23(26(30)32-24)18-16-9-7-5-2/h20-24H,4-19H2,1-3H3,(H,27,28)/t21-,22-,23-,24-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAGLalpha-mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG overexpressed in african green monkey ...


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50274723
PNG
(CHEMBL458622 | N-Formyl-D-leucine-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26+,27-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAGLalpha-mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG overexpressed in african green monkey ...


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Rattus norvegicus (rat))
BDBM50274182
PNG
(CHEMBL484392 | N-Formyl-L-proline-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCCN1C=O
Show InChI InChI=1S/C28H49NO5/c1-3-5-7-9-10-11-12-13-14-17-23(33-28(32)25-19-16-20-29(25)22-30)21-26-24(27(31)34-26)18-15-8-6-4-2/h22-26H,3-21H2,1-2H3/t23-,24-,25-,26-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [14C]anadamide hydrolysis in rat brain membrane


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Rattus norvegicus (rat))
BDBM50274180
PNG
(CHEMBL521157 | N-Formyl-L-isoleucine-(1S)-1-[[(2S,...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC
Show InChI InChI=1S/C29H53NO5/c1-5-8-10-12-13-14-15-16-17-19-24(34-29(33)27(30-22-31)23(4)7-3)21-26-25(28(32)35-26)20-18-11-9-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t23?,24-,25-,26-,27-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [14C]anadamide hydrolysis in rat brain membrane


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Rattus norvegicus (rat))
BDBM50274021
PNG
(CHEMBL457232 | N-Formyl-L-valine-(1S)-1-[[(2S,3S)-...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)C
Show InChI InChI=1S/C28H51NO5/c1-5-7-9-11-12-13-14-15-16-18-23(33-28(32)26(22(3)4)29-21-30)20-25-24(27(31)34-25)19-17-10-8-6-2/h21-26H,5-20H2,1-4H3,(H,29,30)/t23-,24-,25-,26-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [14C]anadamide hydrolysis in rat brain membrane


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Rattus norvegicus (rat))
BDBM50274019
PNG
(CHEMBL516323 | N-Formyl-L-alanine-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](C)NC=O
Show InChI InChI=1S/C26H47NO5/c1-4-6-8-10-11-12-13-14-15-17-22(31-25(29)21(3)27-20-28)19-24-23(26(30)32-24)18-16-9-7-5-2/h20-24H,4-19H2,1-3H3,(H,27,28)/t21-,22-,23-,24-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [14C]anadamide hydrolysis in rat brain membrane


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Rattus norvegicus (rat))
BDBM50274723
PNG
(CHEMBL458622 | N-Formyl-D-leucine-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26+,27-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of FAAH-mediated [14C]anadamide hydrolysis in rat brain membrane


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Sn1-specific diacylglycerol lipase alpha


(Homo sapiens (Human))
BDBM50274182
PNG
(CHEMBL484392 | N-Formyl-L-proline-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H]1CCCN1C=O
Show InChI InChI=1S/C28H49NO5/c1-3-5-7-9-10-11-12-13-14-17-23(33-28(32)25-19-16-20-29(25)22-30)21-26-24(27(31)34-26)18-15-8-6-4-2/h22-26H,3-21H2,1-2H3/t23-,24-,25-,26-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAGLalpha-mediated sn-1-[14C]oleoyl-2-arachidonoyl-glycerol hydrolysis to 2-AG overexpressed in african green monkey ...


J Med Chem 51: 6970-9 (2008)


Article DOI: 10.1021/jm800978m
BindingDB Entry DOI: 10.7270/Q2251J1D
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24596
PNG
((2S)-1-[(2R,3R)-3-methyl-4-oxooxetan-2-yl]tridecan...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1C)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C24H43NO5/c1-5-6-7-8-9-10-11-12-13-14-20(16-22-19(4)23(27)30-22)29-24(28)21(25-17-26)15-18(2)3/h17-22H,5-16H2,1-4H3,(H,25,26)/t19-,20+,21+,22-/m1/s1
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n/an/a 4.51E+4n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24594
PNG
((2S)-1-[(2S,3S)-3-methyl-4-oxooxetan-2-yl]tridecan...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1C)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C24H43NO5/c1-5-6-7-8-9-10-11-12-13-14-20(16-22-19(4)23(27)30-22)29-24(28)21(25-17-26)15-18(2)3/h17-22H,5-16H2,1-4H3,(H,25,26)/t19-,20-,21-,22-/m0/s1
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n/an/a 1.08E+4n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24593
PNG
((2S)-1-[(2R,3R)-3-hexyl-4-oxooxetan-2-yl]pentadeca...)
Show SMILES CCCCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C31H57NO5/c1-5-7-9-11-12-13-14-15-16-17-18-20-26(36-31(35)28(32-24-33)22-25(3)4)23-29-27(30(34)37-29)21-19-10-8-6-2/h24-29H,5-23H2,1-4H3,(H,32,33)/t26-,27+,28-,29+/m0/s1
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n/an/a 9.74E+3n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24591
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadeca...)
Show SMILES CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C31H57NO5/c1-5-7-9-11-12-13-14-15-16-17-18-20-26(36-31(35)28(32-24-33)22-25(3)4)23-29-27(30(34)37-29)21-19-10-8-6-2/h24-29H,5-23H2,1-4H3,(H,32,33)/t26-,27-,28-,29-/m0/s1
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n/an/a 3.67E+3n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24590
PNG
((2S)-1-[(2S,3S)-3-octyl-4-oxooxetan-2-yl]undecan-2...)
Show SMILES CCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-13-14-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-15-12-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
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n/an/a 3.00E+3n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24573
PNG
((2S,5E)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridec...)
Show SMILES CCCCCCC\C=C\CC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Show InChI InChI=1S/C29H51NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h14-15,22-27H,5-13,16-21H2,1-4H3,(H,30,31)/b15-14+/t24-,25-,26-,27-/m0/s1
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n/an/a 120n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair
Pancreatic triacylglycerol lipase


(Sus scrofa (Pig))
BDBM50274723
PNG
(CHEMBL458622 | N-Formyl-D-leucine-(1S)-1-[[(2S,3S)...)
Show SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](CC(C)C)NC=O
Show InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26+,27-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic lipase using p-nitrophenyl butyrate as substrate after 20 mins


ACS Med Chem Lett 9: 274-278 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00050
BindingDB Entry DOI: 10.7270/Q22J6FH4
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24570
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-...)
Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCC=C)OC(=O)[C@H](CC(C)C)NC=O)OC1=O
Show InChI InChI=1S/C22H37NO5/c1-5-7-9-10-12-18-20(28-21(18)25)14-17(11-8-6-2)27-22(26)19(23-15-24)13-16(3)4/h6,15-20H,2,5,7-14H2,1,3-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1
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n/an/a 280n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair
Fatty Acid Synthase


(Homo sapiens (Human))
BDBM24571
PNG
((2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]heptan-2-...)
Show SMILES CCCCCC[C@H]1[C@H](C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C)OC1=O
Show InChI InChI=1S/C22H39NO5/c1-5-7-9-11-13-18-19(28-21(18)25)14-17(12-10-8-6-2)27-22(26)20(16(3)4)23-15-24/h15-20H,5-14H2,1-4H3,(H,23,24)/t17-,18-,19-,20-/m0/s1
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n/an/a 300n/an/an/an/a7.437



The Burnham Institute for Medical Research



Assay Description
The reaction mixture consisted of FAS thioesterase domain (FASTE) in buffer, which was preincubated with test compounds for 30 min. The reaction was ...


J Med Chem 51: 5285-96 (2008)


Article DOI: 10.1021/jm800321h
BindingDB Entry DOI: 10.7270/Q2NV9GJH
More data for this
Ligand-Target Pair