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Compile Data Set for Download or QSAR

Found 528 hits with Last Name = 'meng' and Initial = 'l'   
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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351917
PNG
(Preparation of 5-(2,4-di(3-oxa-8-azabicyclo[3.2.1]...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C2CCC1COC2)N1C2CCC1COC2
Show InChI InChI=1S/C27H31N5O4/c1-34-24-9-2-16(10-17(24)11-33)23-8-7-22-25(28-23)29-27(32-20-5-6-21(32)15-36-14-20)30-26(22)31-18-3-4-19(31)13-35-12-18/h2,7-10,18-21,33H,3-6,11-15H2,1H3
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n/an/a 1n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351935
PNG
(Preparation of 5-(2-((1R,5S)-3-oxa-8-azabicyclo[3....)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C2CCC1COC2)N1CCOC[C@@H]1C
Show InChI InChI=1S/C26H31N5O4/c1-16-13-34-10-9-30(16)25-21-6-7-22(17-3-8-23(33-2)18(11-17)12-32)27-24(21)28-26(29-25)31-19-4-5-20(31)15-35-14-19/h3,6-8,11,16,19-20,32H,4-5,9-10,12-15H2,1-2H3/t16-,19?,20?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM330295
PNG
(Methyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)me...)
Show SMILES COC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F
Show InChI InChI=1S/C24H29F3N8O5S/c1-39-23(36)29-20-12-18(24(25,26)27)17(13-28-20)21-30-22(33-7-9-40-10-8-33)19-11-16(15-35(19)31-21)14-32-3-5-34(6-4-32)41(2,37)38/h11-13,15H,3-10,14H2,1-2H3,(H,28,29,36)
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n/an/a 2.84n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd.

US Patent


Assay Description
The activity of purified kinase was detected with Kinase-GloŽ Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...


US Patent US9724352 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2GM89D9
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351927
PNG
(Preparation of 5-(4-(3-oxa-8-azabicyclo[3.2.1]octa...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1C2CCC1COC2
Show InChI InChI=1S/C26H31N5O4/c1-16-13-34-10-9-30(16)26-28-24-21(25(29-26)31-19-4-5-20(31)15-35-14-19)6-7-22(27-24)17-3-8-23(33-2)18(11-17)12-32/h3,6-8,11,16,19-20,32H,4-5,9-10,12-15H2,1-2H3/t16-,19?,20?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351923
PNG
(Preparation of 5-(2,4-di(8-oxa-3-azabicyclo[3.2.1]...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CC2CCC(C1)O2)N1CC2CCC(C1)O2
Show InChI InChI=1S/C27H31N5O4/c1-34-24-9-2-16(10-17(24)15-33)23-8-7-22-25(28-23)29-27(32-13-20-5-6-21(14-32)36-20)30-26(22)31-11-18-3-4-19(12-31)35-18/h2,7-10,18-21,33H,3-6,11-15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351931
PNG
(Preparation of 5-(2-(8-oxa-3-azabicyclo[3.2.1]octa...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CC2CCC(C1)O2)N1C2CCC1COC2
Show InChI InChI=1S/C27H31N5O4/c1-34-24-9-2-16(10-17(24)13-33)23-8-7-22-25(28-23)29-27(31-11-20-5-6-21(12-31)36-20)30-26(22)32-18-3-4-19(32)15-35-14-18/h2,7-10,18-21,33H,3-6,11-15H2,1H3
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n/an/a 4n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351928
PNG
(Preparation of 5-(4-(3-oxa-8-azabicyclo[3.2.1]octa...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOCC1)N1C2CCC1COC2
Show InChI InChI=1S/C25H29N5O4/c1-32-22-7-2-16(12-17(22)13-31)21-6-5-20-23(26-21)27-25(29-8-10-33-11-9-29)28-24(20)30-18-3-4-19(30)15-34-14-18/h2,5-7,12,18-19,31H,3-4,8-11,13-15H2,1H3
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n/an/a 5n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351929
PNG
(Preparation of 5-(4-(3-oxa-8-azabicyclo[3.2.1]octa...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1C2CCC1COC2
Show InChI InChI=1S/C27H33N5O4/c1-16-11-31(12-17(2)36-16)27-29-25-22(26(30-27)32-20-5-6-21(32)15-35-14-20)7-8-23(28-25)18-4-9-24(34-3)19(10-18)13-33/h4,7-10,16-17,20-21,33H,5-6,11-15H2,1-3H3/t16-,17+,20?,21?
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n/an/a 5n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439649
PNG
(CHEMBL2419811 | US9353075, 7)
Show SMILES CCCCCCC[C@H](C)OC(=O)N[C@@H]1[C@H](C)OC1=O
Show InChI InChI=1S/C14H25NO4/c1-4-5-6-7-8-9-10(2)18-14(17)15-12-11(3)19-13(12)16/h10-12H,4-9H2,1-3H3,(H,15,17)/t10-,11-,12+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439653
PNG
(CHEMBL2419830 | US9353075, 35)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1
Show InChI InChI=1S/C16H27NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM330296
PNG
((S)-methyl (5-(4-(3-methylmorpholino)-6-((4-(methy...)
Show SMILES COC(=O)Nc1cc(c(cn1)-c1nc(N2CCOC[C@@H]2C)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F
Show InChI InChI=1S/C25H31F3N8O5S/c1-16-15-41-9-8-35(16)23-20-10-17(13-33-4-6-34(7-5-33)42(3,38)39)14-36(20)32-22(31-23)18-12-29-21(30-24(37)40-2)11-19(18)25(26,27)28/h10-12,14,16H,4-9,13,15H2,1-3H3,(H,29,30,37)/t16-/m0/s1
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n/an/a 5.67n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd.

US Patent


Assay Description
The activity of purified kinase was detected with Kinase-GloŽ Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...


US Patent US9724352 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2GM89D9
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50446244
PNG
(CHEMBL3109178)
Show SMILES Oc1cc(O)cc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O4/c24-12-8-11(9-13(25)10-12)17-21-15-14-2-1-3-20-19(14)27-16(15)18(22-17)23-4-6-26-7-5-23/h1-3,8-10,24-25H,4-7H2
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n/an/a 5.90n/an/an/an/an/an/a



Shanghai JiaoTong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged full length human PI3Kalpha expressed in baculovirus-infected sf9 cells after 30 mins by TR-FRET assay


ACS Med Chem Lett 5: 138-42 (2014)


Article DOI: 10.1021/ml400378e
BindingDB Entry DOI: 10.7270/Q2MK6FB6
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032458
PNG
(CHEMBL3354144 | US9353075, 42)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C18H23NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14,16H,2-6,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032458
PNG
(CHEMBL3354144 | US9353075, 42)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C18H23NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h7-10,12,14,16H,2-6,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439664
PNG
(CHEMBL2419814 | US9353075, 17)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439664
PNG
(CHEMBL2419814 | US9353075, 17)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoylethanolamide as substrate preincubated for 30 mins followed by substrate ...


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50389023
PNG
(CHEMBL2064166 | US9353075, 6)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1S/C16H21NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439664
PNG
(CHEMBL2419814 | US9353075, 17)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM330294
PNG
(Ethyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)met...)
Show SMILES CCOC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F
Show InChI InChI=1S/C25H31F3N8O5S/c1-3-41-24(37)30-21-13-19(25(26,27)28)18(14-29-21)22-31-23(34-8-10-40-11-9-34)20-12-17(16-36(20)32-22)15-33-4-6-35(7-5-33)42(2,38)39/h12-14,16H,3-11,15H2,1-2H3,(H,29,30,37)
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n/an/a 7.15n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd.

US Patent


Assay Description
The activity of purified kinase was detected with Kinase-GloŽ Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...


US Patent US9724352 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2GM89D9
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439664
PNG
(CHEMBL2419814 | US9353075, 17)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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n/an/a 7.20n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50389023
PNG
(CHEMBL2064166 | US9353075, 6)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1S/C16H21NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged NAAA expressed in HEK293 cells using 10-cis-heptadecenoylethanolamide as substrate after 30 mins by UPLC/...


ACS Med Chem Lett 3: 422-426 (2012)


Article DOI: 10.1021/ml300056y
BindingDB Entry DOI: 10.7270/Q29W0GKS
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM330293
PNG
(1-ethyl-3-(5-(6-((4-(methylsulfonyl)piperazin-1-yl...)
Show SMILES CCNC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N9O4S/c1-3-29-24(38)31-21-13-19(25(26,27)28)18(14-30-21)22-32-23(35-8-10-41-11-9-35)20-12-17(16-37(20)33-22)15-34-4-6-36(7-5-34)42(2,39)40/h12-14,16H,3-11,15H2,1-2H3,(H2,29,30,31,38)
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n/an/a 8.19n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd.

US Patent


Assay Description
The activity of purified kinase was detected with Kinase-GloŽ Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...


US Patent US9724352 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2GM89D9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM330259
PNG
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(nn3c2)-c2cnc(N)cc2C(F)(F)F)N2CCOCC2)CC1
Show InChI InChI=1S/C22H27F3N8O3S/c1-37(34,35)32-4-2-30(3-5-32)13-15-10-18-21(31-6-8-36-9-7-31)28-20(29-33(18)14-15)16-12-27-19(26)11-17(16)22(23,24)25/h10-12,14H,2-9,13H2,1H3,(H2,26,27)
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n/an/a 8.37n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd.

US Patent


Assay Description
The activity of purified kinase was detected with Kinase-GloŽ Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...


US Patent US9724352 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2GM89D9
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351939
PNG
(Preparation of 5-(4-(8-oxa-3-azabicyclo[3.2.1]octa...)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C2CCC1COC2)N1CC2CCC(C1)O2
Show InChI InChI=1S/C27H31N5O4/c1-34-24-9-2-16(10-17(24)13-33)23-8-7-22-25(28-23)29-27(32-18-3-4-19(32)15-35-14-18)30-26(22)31-11-20-5-6-21(12-31)36-20/h2,7-10,18-21,33H,3-6,11-15H2,1H3
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n/an/a 9n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM330292
PNG
(1-(4-fluorophenyl)-3-(5-(6-((4-(methylsulfonyl)pip...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(nn3c2)-c2cnc(NC(=O)Nc3ccc(F)cc3)cc2C(F)(F)F)N2CCOCC2)CC1
Show InChI InChI=1S/C29H31F4N9O4S/c1-47(44,45)41-8-6-39(7-9-41)17-19-14-24-27(40-10-12-46-13-11-40)37-26(38-42(24)18-19)22-16-34-25(15-23(22)29(31,32)33)36-28(43)35-21-4-2-20(30)3-5-21/h2-5,14-16,18H,6-13,17H2,1H3,(H2,34,35,36,43)
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n/an/a 9.30n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd.

US Patent


Assay Description
The activity of purified kinase was detected with Kinase-GloŽ Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...


US Patent US9724352 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2GM89D9
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM330258
PNG
(1-(4-(4-methylpiperazine-carbonyl)phenyl)-3-(4-(6-...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cc(CN4CCN(CC4)S(C)(=O)=O)cn3n2)cc1
Show InChI InChI=1S/C35H44N10O5S/c1-40-11-15-43(16-12-40)34(46)28-5-9-30(10-6-28)37-35(47)36-29-7-3-27(4-8-29)32-38-33(42-19-21-50-22-20-42)31-23-26(25-45(31)39-32)24-41-13-17-44(18-14-41)51(2,48)49/h3-10,23,25H,11-22,24H2,1-2H3,(H2,36,37,47)
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n/an/a 9.59n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd.

US Patent


Assay Description
The activity of purified kinase was detected with Kinase-GloŽ Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...


US Patent US9724352 (2017)


Article DOI: 10.1016/j.bmcl.2005.03.012
BindingDB Entry DOI: 10.7270/Q2GM89D9
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM197350
PNG
(US9216962, CFH395-C)
Show SMILES ONC(=O)CCCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C17H22N4O3S2/c22-12(21-24)5-3-1-2-4-8-18-15(23)13-14(11-6-7-11)26-17(20-13)16-19-9-10-25-16/h9-11,24H,1-8H2,(H,18,23)(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM197350
PNG
(US9216962, CFH395-C)
Show SMILES ONC(=O)CCCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C17H22N4O3S2/c22-12(21-24)5-3-1-2-4-8-18-15(23)13-14(11-6-7-11)26-17(20-13)16-19-9-10-25-16/h9-11,24H,1-8H2,(H,18,23)(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032456
PNG
(CHEMBL3354145)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO4/c1-11-16(17(21)24-11)20-18(22)23-10-12-2-4-13(5-3-12)14-6-8-15(19)9-7-14/h2-9,11,16H,10H2,1H3,(H,20,22)/t11-,16+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351936
PNG
(Preparation of 5-(2-((1R,5S)-3-oxa-8-azabicyclo[3....)
Show SMILES COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C2CCC1COC2)N1CCOCC1
Show InChI InChI=1S/C25H29N5O4/c1-32-22-7-2-16(12-17(22)13-31)21-6-5-20-23(26-21)27-25(28-24(20)29-8-10-33-11-9-29)30-18-3-4-19(30)15-34-14-18/h2,5-7,12,18-19,31H,3-4,8-11,13-15H2,1H3
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n/an/a 11n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032456
PNG
(CHEMBL3354145)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H16FNO4/c1-11-16(17(21)24-11)20-18(22)23-10-12-2-4-13(5-3-12)14-6-8-15(19)9-7-14/h2-9,11,16H,10H2,1H3,(H,20,22)/t11-,16+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM197363
PNG
(US9216962, CFH443-5)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1ncc(s1)-c1ccccc1
Show InChI InChI=1S/C21H22N4O3S2/c26-16(25-28)8-4-5-11-22-19(27)17-18(14-9-10-14)30-21(24-17)20-23-12-15(29-20)13-6-2-1-3-7-13/h1-3,6-7,12,14,28H,4-5,8-11H2,(H,22,27)(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM197362
PNG
(US9216962, CFH449-H)
Show SMILES ONC(=O)CCCCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1
Show InChI InChI=1S/C21H28N4O3S2/c26-16(25-28)9-3-1-2-6-12-22-19(27)17-18(13-10-11-13)30-21(24-17)20-23-14-7-4-5-8-15(14)29-20/h13,28H,1-12H2,(H,22,27)(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351949
PNG
(Preparation of (5-(2,4-di((S)-3-methylmorpholinyl)...)
Show SMILES COc1ccc(cc1CO)-c1cc2nc(nc(N3CCOC[C@@H]3C)c2cn1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C25H31N5O4/c1-16-14-33-8-6-29(16)24-20-12-26-21(18-4-5-23(32-3)19(10-18)13-31)11-22(20)27-25(28-24)30-7-9-34-15-17(30)2/h4-5,10-12,16-17,31H,6-9,13-15H2,1-3H3/t16-,17-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032448
PNG
(CHEMBL3354153)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1cc2cc(C)ccc2s1
Show InChI InChI=1S/C15H15NO4S/c1-8-3-4-12-10(5-8)6-11(21-12)7-19-15(18)16-13-9(2)20-14(13)17/h3-6,9,13H,7H2,1-2H3,(H,16,18)/t9-,13+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032448
PNG
(CHEMBL3354153)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1cc2cc(C)ccc2s1
Show InChI InChI=1S/C15H15NO4S/c1-8-3-4-12-10(5-8)6-11(21-12)7-19-15(18)16-13-9(2)20-14(13)17/h3-6,9,13H,7H2,1-2H3,(H,16,18)/t9-,13+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439653
PNG
(CHEMBL2419830 | US9353075, 35)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1
Show InChI InChI=1S/C16H27NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50229025
PNG
(CHEMBL4092421)
Show SMILES CCC(C)(C)C(=O)N(O)Cc1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



National Institute of Biological Sciences

Curated by ChEMBL


Assay Description
Inhibition of RIP1 (unknown origin) using MBP as substrate preincubated for 15 mins followed by MBP/ATP mixture addition measured after 90 mins by AD...


J Med Chem 60: 972-986 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01196
BindingDB Entry DOI: 10.7270/Q2QC05QD
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50020910
PNG
(CHEMBL3287268 | US9216962, CFH395)
Show SMILES CC(C)\C=C\c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C17H22N4O3S2/c1-11(2)6-7-12-14(20-17(26-12)16-19-9-10-25-16)15(23)18-8-4-3-5-13(22)21-24/h6-7,9-11,24H,3-5,8H2,1-2H3,(H,18,23)(H,21,22)/b7-6+
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n/an/a 13n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439653
PNG
(CHEMBL2419830 | US9353075, 35)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1
Show InChI InChI=1S/C16H27NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoylethanolamide as substrate preincubated for 30 mins followed by substrate ...


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032451
PNG
(CHEMBL3354150)
Show SMILES CCCCc1ccc(COC(=O)N[C@@H]2[C@H](C)OC2=O)cc1
Show InChI InChI=1S/C16H21NO4/c1-3-4-5-12-6-8-13(9-7-12)10-20-16(19)17-14-11(2)21-15(14)18/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032459
PNG
(CHEMBL3353551)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCC#Cc1ccccc1
Show InChI InChI=1S/C14H13NO4/c1-10-12(13(16)19-10)15-14(17)18-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12H,9H2,1H3,(H,15,17)/t10-,12+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50032451
PNG
(CHEMBL3354150)
Show SMILES CCCCc1ccc(COC(=O)N[C@@H]2[C@H](C)OC2=O)cc1
Show InChI InChI=1S/C16H21NO4/c1-3-4-5-12-6-8-13(9-7-12)10-20-16(19)17-14-11(2)21-15(14)18/h6-9,11,14H,3-5,10H2,1-2H3,(H,17,19)/t11-,14+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439653
PNG
(CHEMBL2419830 | US9353075, 35)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1
Show InChI InChI=1S/C16H27NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of NAAA in Sprague-Dawley rat lung assessed as inhibition of hydrolysis of 10-cis-heptadecenoylethanolamide by UPLC/MS method


J Med Chem 57: 10101-11 (2014)


Article DOI: 10.1021/jm501455s
BindingDB Entry DOI: 10.7270/Q26111W8
More data for this
Ligand-Target Pair
Histone deacetylase 3


(Homo sapiens (Human))
BDBM197362
PNG
(US9216962, CFH449-H)
Show SMILES ONC(=O)CCCCCCNC(=O)c1nc(sc1C1CC1)-c1nc2CCCCc2s1
Show InChI InChI=1S/C21H28N4O3S2/c26-16(25-28)9-3-1-2-6-12-22-19(27)17-18(13-10-11-13)30-21(24-17)20-23-14-7-4-5-8-15(14)29-20/h13,28H,1-12H2,(H,22,27)(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



Shanghai Puyi Chemical Co., Ltd.

US Patent


Assay Description
Enzyme activity of HDAC1,3 is determined using the substrate Ac-Lys-Tyr-Lys(Ac)-AMC while the enzyme activity of HDAC6 is assayed using the substrate...


US Patent US9216962 (2015)


BindingDB Entry DOI: 10.7270/Q2QJ7G3F
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439649
PNG
(CHEMBL2419811 | US9353075, 7)
Show SMILES CCCCCCC[C@H](C)OC(=O)N[C@@H]1[C@H](C)OC1=O
Show InChI InChI=1S/C14H25NO4/c1-4-5-6-7-8-9-10(2)18-14(17)15-12-11(3)19-13(12)16/h10-12H,4-9H2,1-3H3,(H,15,17)/t10-,11-,12+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoylethanolamide as substrate preincubated for 30 mins followed by substrate ...


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 17n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha by luminescent kinase assay


Bioorg Med Chem Lett 22: 339-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.003
BindingDB Entry DOI: 10.7270/Q2M045WF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM351958
PNG
(Preparation of (5-(4-((1R,5S)-3-oxa-8-azabicyclo[3...)
Show SMILES COc1ccc(cc1CO)-c1cc2nc(nc(N3C4CCC3COC4)c2cn1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C26H31N5O4/c1-16-13-34-8-7-30(16)26-28-23-10-22(17-3-6-24(33-2)18(9-17)12-32)27-11-21(23)25(29-26)31-19-4-5-20(31)15-35-14-19/h3,6,9-11,16,19-20,32H,4-5,7-8,12-15H2,1-2H3/t16-,19?,20?/m0/s1
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n/an/a 18n/an/an/an/an/an/a



SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD.

US Patent


Assay Description
The test on activity against mTOR Kinase was performed using a 1.7 nM mTOR (Millipore, 14-770M), a 50 nM ULight-4EBP1 (Perkin-Elmer, TRF0128M) and a ...


US Patent US9796732 (2017)


Article DOI: 10.1021/jm050462t
BindingDB Entry DOI: 10.7270/Q2VD71MN
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase (NAAA)


(Rattus norvegicus (Rat))
BDBM50439651
PNG
(CHEMBL2419808)
Show SMILES CC(CCCCc1ccccc1)OC(=O)N[C@@H]1[C@H](C)OC1=O
Show InChI InChI=1S/C17H23NO4/c1-12(8-6-7-11-14-9-4-3-5-10-14)21-17(20)18-15-13(2)22-16(15)19/h3-5,9-10,12-13,15H,6-8,11H2,1-2H3,(H,18,20)/t12?,13-,15+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of Sprague Dawley rat lung native NAAA enzyme using heptadecenoylethanolamide as substrate preincubated for 30 mins followed by substrate ...


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/a 18n/an/an/an/an/an/a



Shanghai JiaoTong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged full length human PI3Kalpha expressed in baculovirus-infected sf9 cells after 30 mins by TR-FRET assay


ACS Med Chem Lett 5: 138-42 (2014)


Article DOI: 10.1021/ml400378e
BindingDB Entry DOI: 10.7270/Q2MK6FB6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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