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BDBM50299971 4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-4-yl]methyl}benzamide::CHEMBL570571

SMILES: Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F

InChI Key: InChIKey=SMOJVTPALLWLKJ-LJQANCHMSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50299971   
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
Elongation of very long chain fatty acids protein 6


(Homo sapiens (Human))
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay


J Med Chem 52: 7289-300 (2009)


Article DOI: 10.1021/jm900915x
BindingDB Entry DOI: 10.7270/Q2XK8FMB
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ELOVL6 in mouse H2.35 cells assessed as elongation index


J Med Chem 52: 7289-300 (2009)


Article DOI: 10.1021/jm900915x
BindingDB Entry DOI: 10.7270/Q2XK8FMB
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 1


(Homo sapiens (Human))
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL1


J Med Chem 52: 7289-300 (2009)


Article DOI: 10.1021/jm900915x
BindingDB Entry DOI: 10.7270/Q2XK8FMB
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 6


(Mus musculus)
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL6 expressed in Pichia pastoris using palmitoyl-CoA by long chain fatty acyl-CoA elongation assay


J Med Chem 52: 7289-300 (2009)


Article DOI: 10.1021/jm900915x
BindingDB Entry DOI: 10.7270/Q2XK8FMB
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 5


(Homo sapiens (Human))
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL5


J Med Chem 52: 7289-300 (2009)


Article DOI: 10.1021/jm900915x
BindingDB Entry DOI: 10.7270/Q2XK8FMB
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Homo sapiens (Human))
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL3


J Med Chem 52: 7289-300 (2009)


Article DOI: 10.1021/jm900915x
BindingDB Entry DOI: 10.7270/Q2XK8FMB
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 3


(Mus musculus)
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse ELOVL3


J Med Chem 52: 7289-300 (2009)


Article DOI: 10.1021/jm900915x
BindingDB Entry DOI: 10.7270/Q2XK8FMB
More data for this
Ligand-Target Pair
Elongation of very long chain fatty acids protein 2


(Homo sapiens (Human))
BDBM50299971
PNG
(4-Fluoro-N-{[(+)-(4S)-2-oxo-6-(1H-pyrazol-5-yl)-4-...)
Show SMILES Fc1ccc(cc1)C(=O)NC[C@]1(OC(=O)Nc2ccc(cc12)-c1cc[nH]n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H14F4N4O3/c21-13-4-1-11(2-5-13)17(29)25-10-19(20(22,23)24)14-9-12(15-7-8-26-28-15)3-6-16(14)27-18(30)31-19/h1-9H,10H2,(H,25,29)(H,26,28)(H,27,30)/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human ELOVL2


J Med Chem 52: 7289-300 (2009)


Article DOI: 10.1021/jm900915x
BindingDB Entry DOI: 10.7270/Q2XK8FMB
More data for this
Ligand-Target Pair