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Compile Data Set for Download or QSAR

Found 791 hits with Last Name = 'peng' and Initial = 'w'   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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PubMed
0.170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at 5HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.600n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged recombinant Aurora 1 (62 to 344) (unknown origin) expressed in baculovirus expression system by radiometric ass...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.740n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM248056
PNG
(1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
Show InChI InChI=1S/C24H24FN3O2/c25-21-6-4-19(5-7-21)20-14-18(15-26-16-20)17-27-8-10-28(11-9-27)22-2-1-3-23-24(22)30-13-12-29-23/h1-7,14-16H,8-13,17H2
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0.794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in CHO cell membrane measured after 60 mins by scintillation counting m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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3.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM248056
PNG
(1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluo...)
Show SMILES Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2cccc3OCCOc23)c1
Show InChI InChI=1S/C24H24FN3O2/c25-21-6-4-19(5-7-21)20-14-18(15-26-16-20)17-27-8-10-28(11-9-27)22-2-1-3-23-24(22)30-13-12-29-23/h1-7,14-16H,8-13,17H2
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]spiperone from recombinant human D2S receptor expressed in CHO cell membrane measured after 60 mins by scintillation counting met...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Aurora kinase C


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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4.60n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged recombinant Aurora 3 (1 to 309) (unknown origin) expressed in baculovirus expression system by radiometric assa...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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5.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at 5HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50493380
PNG
(CHEMBL2425469)
Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C9H10ClNO3/c10-7-3-1-2-6(4-7)8(12)5-9(13)11-14/h1-4,8,12,14H,5H2,(H,11,13)
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14n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis


Eur J Med Chem 68: 212-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.047
BindingDB Entry DOI: 10.7270/Q28G8PNR
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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18n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged recombinant Aurora 2 (1 to 403) (unknown origin) expressed in baculovirus expression system by radiometric assa...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair
Urease subunit beta


(Helicobacter pylori (strain ATCC 700392 / 26695) (...)
BDBM50493373
PNG
(CHEMBL2425478)
Show SMILES ONC(=O)CC(O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H9Cl2NO3/c10-6-3-1-2-5(9(6)11)7(13)4-8(14)12-15/h1-3,7,13,15H,4H2,(H,12,14)
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45n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Mixed-type competitive inhibition of Helicobacter pylori ATCC 43504 urease using urea as substrate by Lineweaver-burk plot analysis


Eur J Med Chem 68: 212-21 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.047
BindingDB Entry DOI: 10.7270/Q28G8PNR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50551638
PNG
(CHEMBL4790303)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]5-HT from recombinant 5HT1A receptor (unknown origin) expressed in CHO cell membrane measured after 50 mins by microbeta scintill...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50251187
PNG
(1-(4-(O-beta-D-Glucopyranosyl) benzylidene) methox...)
Show SMILES CO\N=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C14H19NO7/c1-20-15-6-8-2-4-9(5-3-8)21-14-13(19)12(18)11(17)10(7-16)22-14/h2-6,10-14,16-19H,7H2,1H3/b15-6-/t10-,11-,12+,13-,14-/m1/s1
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130n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Eur J Med Chem 43: 166-73 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.018
BindingDB Entry DOI: 10.7270/Q2DF6S3Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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157n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50551638
PNG
(CHEMBL4790303)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
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207n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human 5HT2A receptor expressed in CHO-K1 cells measured after 15 mins by FLIPR assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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450n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Eur J Med Chem 43: 166-73 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.018
BindingDB Entry DOI: 10.7270/Q2DF6S3Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50245887
PNG
(4-((2S,3R,4R,5R)-3,4,5-trihydroxy-tetrahydro-2H-py...)
Show SMILES O[C@@H]1CO[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C12H14O6/c13-5-7-1-3-8(4-2-7)18-12-11(16)10(15)9(14)6-17-12/h1-5,9-12,14-16H,6H2/t9-,10-,11-,12+/m1/s1
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510n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Eur J Med Chem 43: 166-73 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.018
BindingDB Entry DOI: 10.7270/Q2DF6S3Z
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50245886
PNG
(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(C=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1
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730n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE by Ellman's method


Eur J Med Chem 43: 166-73 (2008)


Article DOI: 10.1016/j.ejmech.2007.03.018
BindingDB Entry DOI: 10.7270/Q2DF6S3Z
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241354
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition of LSD1 (unknown origin) using H3Kme2 as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 27: 370-374 (2019)


Article DOI: 10.1016/j.bmc.2018.12.013
BindingDB Entry DOI: 10.7270/Q2JW8J40
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551638
PNG
(CHEMBL4790303)
Show SMILES Fc1ccc2[nH]cc(CCCN3CCN(CC(=O)N(C4CCCCC4)c4ccccc4)CC3)c2c1
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2.16E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50300123
PNG
(2-(4-Formylphenoxy)ethyl dimethyl phosphate | CHEM...)
Show SMILES COP(=O)(OC)OCCOc1ccc(C=O)cc1
Show InChI InChI=1S/C11H15O6P/c1-14-18(13,15-2)17-8-7-16-11-5-3-10(9-12)4-6-11/h3-6,9H,7-8H2,1-2H3
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3.68E+4n/an/an/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA by Lineweaver-Burke plot analysis


Eur J Med Chem 45: 639-46 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.007
BindingDB Entry DOI: 10.7270/Q2348M9F
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50206197
PNG
(CHEMBL235565 | methyl 2-(2-(4-formylphenoxy)acetam...)
Show SMILES COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(C=O)cc1 |w:4.4|
Show InChI InChI=1S/C21H20N2O5/c1-27-21(26)19(10-15-11-22-18-5-3-2-4-17(15)18)23-20(25)13-28-16-8-6-14(12-24)7-9-16/h2-9,11-12,19,22H,10,13H2,1H3,(H,23,25)
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5.40E+4n/an/an/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA by Lineweaver-Burke plot analysis


Eur J Med Chem 45: 639-46 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.007
BindingDB Entry DOI: 10.7270/Q2348M9F
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50206195
PNG
(CHEMBL232590 | methyl 2-(2-(4-formylphenoxy)acetam...)
Show SMILES COC(=O)CNC(=O)COc1ccc(C=O)cc1
Show InChI InChI=1S/C12H13NO5/c1-17-12(16)6-13-11(15)8-18-10-4-2-9(7-14)3-5-10/h2-5,7H,6,8H2,1H3,(H,13,15)
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1.17E+5n/an/an/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA by Lineweaver-Burke plot analysis


Eur J Med Chem 45: 639-46 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.007
BindingDB Entry DOI: 10.7270/Q2348M9F
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))
BDBM50206194
PNG
(CHEMBL394901 | methyl 2-(2-(4-formylphenoxy)acetam...)
Show SMILES COC(=O)C(C)NC(=O)COc1ccc(C=O)cc1 |w:4.4|
Show InChI InChI=1S/C13H15NO5/c1-9(13(17)18-2)14-12(16)8-19-11-5-3-10(7-15)4-6-11/h3-7,9H,8H2,1-2H3,(H,14,16)
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1.25E+5n/an/an/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase assessed as oxidation of L-DOPA by Lineweaver-Burke plot analysis


Eur J Med Chem 45: 639-46 (2010)


Article DOI: 10.1016/j.ejmech.2009.11.007
BindingDB Entry DOI: 10.7270/Q2348M9F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50425862
PNG
(CHEMBL2312654)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
Show InChI InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50142796
PNG
(CHEMBL3759186)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 1.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay


Eur J Med Chem 109: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.033
BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551625
PNG
(CHEMBL4776840)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccccc2)CC1
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50425864
PNG
(CHEMBL2312649)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
Show InChI InChI=1S/C25H35Cl2N7O/c1-33(2)21-6-4-18(5-7-21)29-23-22(24(35)30-19-8-10-34(3)11-9-19)15-28-25(32-23)31-20-13-16(26)12-17(27)14-20/h12-15,18-19,21H,4-11H2,1-3H3,(H,30,35)(H2,28,29,31,32)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551623
PNG
(CHEMBL4759817)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(Cl)cc2)CC1
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TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50142796
PNG
(CHEMBL3759186)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 2.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...


Eur J Med Chem 109: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.033
BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551622
PNG
(CHEMBL4746981)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)CC1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 2.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50425870
PNG
(CHEMBL2311550)
Show SMILES CC[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |r|
Show InChI InChI=1S/C21H28Cl2N6O2/c1-3-15(12-30)25-19-18(20(31)26-16-4-6-29(2)7-5-16)11-24-21(28-19)27-17-9-13(22)8-14(23)10-17/h8-11,15-16,30H,3-7,12H2,1-2H3,(H,26,31)(H2,24,25,27,28)/t15-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.028
BindingDB Entry DOI: 10.7270/Q2XW4M38
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta 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 3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K delta by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.038
BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta 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 3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.038
BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551624
PNG
(CHEMBL4787495)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N(CCCN1CCC(CC1)c1noc2cc(F)ccc12)C1COC1
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TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50142857
PNG
(CHEMBL3758839)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H25ClN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extracts preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorom...


Eur J Med Chem 109: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.033
BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50142796
PNG
(CHEMBL3759186)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 3.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC2 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay


Eur J Med Chem 109: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.033
BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 3.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50551621
PNG
(CHEMBL4747208)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN(C2COC2)S(=O)(=O)c2ccc(cc2)C#N)CC1
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human D2 receptor expressed in HEK293 cells incubated for 60 mins by Eu-cAMP tracer based LANCE ultra cAMP assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112214
BindingDB Entry DOI: 10.7270/Q2959N63
More data for this
Ligand-Target Pair
Aurora kinase A


(Mus musculus (mouse))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant mouse Aurora A expressed in Sf9 cells using biotin-GLRRASLG as peptide substrate by [gamma-33S]ATP binding assay


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50148942
PNG
(CHEMBL3769902)
Show SMILES Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccc(Nc3cccnc3C#N)cc2n1
Show InChI InChI=1S/C22H19N9O/c23-11-19-17(2-1-5-25-19)28-15-3-4-16-18(10-15)29-20(14-12-26-22(24)27-13-14)30-21(16)31-6-8-32-9-7-31/h1-5,10,12-13,28H,6-9H2,(H2,24,26,27)
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n/an/a 4.20n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin) using PIP2 as substrate after 1 hr by kinase-Glo luminescent assay


Eur J Med Chem 108: 644-54 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.038
BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132403
PNG
(CHEMBL3633765)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H23BrN4O4/c1-29-18-12-17-16(11-19(18)30-9-4-2-3-8-20(27)26-28)21(24-13-23-17)25-15-7-5-6-14(22)10-15/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 4.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta Glucosidase from Almonds


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50142796
PNG
(CHEMBL3759186)
Show SMILES COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H25BrN4O4/c1-30-19-13-18-17(12-20(19)31-11-5-3-2-4-6-21(28)27-29)22(25-14-24-18)26-16-9-7-15(23)8-10-16/h7-10,12-14,29H,2-6,11H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 4.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) preincubated for 15 mins followed by addition of Fluor de Lys as substrate for 1 hr by fluorometric assay


Eur J Med Chem 109: 1-12 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.033
BindingDB Entry DOI: 10.7270/Q2377BJX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]QNB from Muscarinic acetylcholine receptor in rat brain


J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004231
PNG
(CHEMBL3237167)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C19H25N9O2S/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-14-3-5-15(6-4-14)31(20,29)30/h3-6,11-12H,7-10H2,1-2H3,(H2,20,29,30)(H3,21,22,23,24,25,26)
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n/an/a 5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
BindingDB Entry DOI: 10.7270/Q2Z60QKP
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration of compound for 50% displacement of [3H]WB-4101 from Alpha-1 adrenergic receptor of rat brain


J Med Chem 23: 865-73 (1980)


BindingDB Entry DOI: 10.7270/Q2542QTR
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50132484
PNG
(CHEMBL3633769)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22Cl2N4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against metabotropic glutamate receptor 5 (mGluR5)


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50132345
PNG
(CHEMBL3633761)
Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H23ClN4O4/c1-29-18-12-17-16(11-19(18)30-9-4-2-3-8-20(27)26-28)21(24-13-23-17)25-15-7-5-6-14(22)10-15/h5-7,10-13,28H,2-4,8-9H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 5.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding affinity for prostanoid EP4 receptor


Bioorg Med Chem Lett 25: 5137-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.006
BindingDB Entry DOI: 10.7270/Q2CN75QQ
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 5.80n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PI3K alpha by scintillation proximity radiometric assay


Eur J Med Chem 108: 644-54 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.038
BindingDB Entry DOI: 10.7270/Q2C53NQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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