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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'fotio' and Initial = 'y'   
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
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50151057
PNG
(CHEMBL3770726)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human NAAA


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50151057
PNG
(CHEMBL3770726)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat NAAA


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50539731
PNG
(CHEMBL4643312)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)Oc1ccc(CCCC)cc1)N2CS(=O)(=O)c1c(C)n[nH]c1C |r,TLB:9:7:20:3.2|
Show InChI InChI=1S/C23H33N3O3S/c1-4-5-6-18-7-11-21(12-8-18)29-22-13-19-9-10-20(14-22)26(19)15-30(27,28)23-16(2)24-25-17(23)3/h7-8,11-12,19-20,22H,4-6,9-10,13-15H2,1-3H3,(H,24,25)/t19-,20+,22-
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n/an/a 23n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human NAAA


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50151057
PNG
(CHEMBL3770726)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NAAA expressed in HEK cells


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393301
PNG
((10-Isothiocyanatodecyl)benzene | US9963444, Examp...)
Show SMILES S=C=NCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C17H25NS/c19-16-18-15-11-6-4-2-1-3-5-8-12-17-13-9-7-10-14-17/h7,9-10,13-14H,1-6,8,11-12,15H2
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n/an/a 30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human NAAA


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM430282
PNG
(US10556892, Compound 19 | US10556892, Compound 8)
Show SMILES CCS(=O)(=O)c1ccccc1C(=O)N1CCN(C[C@@H]1C)c1nc2ccc(F)cc2s1 |r|
Show InChI InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human NAAA


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50416509
PNG
(CHEMBL1214256 | US9321743, URB783)
Show SMILES O=C(CCc1ccccc1)N[C@H]1COC1=O |r|
Show InChI InChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat NAAA


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM32018
PNG
(1,8-DIACETOXY-3-CARBOXYANTHRAQUINONE | 4,5-diaceto...)
Show SMILES CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O
Show InChI InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)
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n/an/a 700n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of NAAA (unknown origin)


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50389007
PNG
(CHEMBL1214255 | US9321743, SD41)
Show SMILES O=C(N[C@H]1COC1=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat NAAA


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50450753
PNG
(CHEMBL4207570)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)N1CCCC1
Show InChI InChI=1S/C19H21NO/c21-19(20-14-4-5-15-20)13-10-16-8-11-18(12-9-16)17-6-2-1-3-7-17/h1-3,6-9,11-12H,4-5,10,13-15H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of NAAA (unknown origin)


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))
BDBM50416510
PNG
(CHEMBL1214257 | US9321743, URB818)
Show SMILES O=C(CCc1ccccc1)N[C@@H]1COC1=O |r|
Show InChI InChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat NAAA


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50309177
PNG
(CHEMBL590884 | cyclopentyl palmitate)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC1CCCC1
Show InChI InChI=1S/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-21(22)23-20-17-15-16-18-20/h20H,2-19H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human NAAA expressed in HEK293 cell membranes using [3H]-N-palmitoylethanolamine as substrate after 30 mins by liquid scintillation cou...


J Med Chem 63: 7475-7490 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00191
BindingDB Entry DOI: 10.7270/Q2V98CM4
More data for this
Ligand-Target Pair