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18 similar compounds to monomer 50159745

Compile data set for download or QSAR
Wt: 271.3
BDBM50117573
Wt: 256.3
BDBM50159747
Wt: 431.6
BDBM50159751
Wt: 403.5
BDBM50159753
Wt: 459.6
BDBM50159755
Wt: 465.6
BDBM50159737
Wt: 417.5
BDBM50159738
Wt: 551.5
BDBM50113647
Wt: 804.9
BDBM50159739
Wt: 823.0
BDBM50159744
Wt: 387.3
BDBM50159748
Wt: 730.9
BDBM50159741
Wt: 401.4
BDBM50159750
Wt: 331.2
BDBM50159752
Wt: 384.8
BDBM50159754
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50117573,50159747,50159751,50159753,50159755,50159737,50159738,50113647,50159739,50159744,50159748,50159741,50159750,50159752,50159754   
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
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50159754
PNG
(CHEMBL3785512)
Show SMILES CCN\C(=N/S(=O)(=O)c1cc(O)cc(Cl)c1)N1CC2(CCCC2)C=N1
Show InChI InChI=1S/C16H21ClN4O3S/c1-2-18-15(21-11-16(10-19-21)5-3-4-6-16)20-25(23,24)14-8-12(17)7-13(22)9-14/h7-10,22H,2-6,11H2,1H3,(H,18,20)
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6.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.001
BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50159750
PNG
(CHEMBL3786611)
Show SMILES CC(C)NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C18H23N7O4/c1-10(2)20-8-11-4-3-5-12(6-11)9-25-22-16(21-24-25)15-13(17(26)23-29-15)7-14(19)18(27)28/h3-6,10,14,20H,7-9,19H2,1-2H3,(H,23,26)(H,27,28)/t14-/s2
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3.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA1 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50159748
PNG
(CHEMBL3785581)
Show SMILES CCNCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C17H21N7O4/c1-2-19-8-10-4-3-5-11(6-10)9-24-21-15(20-23-24)14-12(16(25)22-28-14)7-13(18)17(26)27/h3-6,13,19H,2,7-9,18H2,1H3,(H,22,25)(H,26,27)/t13-/s2
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5.29E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA1 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50159750
PNG
(CHEMBL3786611)
Show SMILES CC(C)NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C18H23N7O4/c1-10(2)20-8-11-4-3-5-12(6-11)9-25-22-16(21-24-25)15-13(17(26)23-29-15)7-14(19)18(27)28/h3-6,10,14,20H,7-9,19H2,1-2H3,(H,23,26)(H,27,28)/t14-/s2
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1.60E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA3 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50159752
PNG
(CHEMBL3786824)
Show SMILES N[C@@H](Cc1c(O)noc1-c1nnn(Cc2ccncc2)n1)C(O)=O
Show InChI InChI=1/C13H13N7O4/c14-9(13(22)23)5-8-10(24-18-12(8)21)11-16-19-20(17-11)6-7-1-3-15-4-2-7/h1-4,9H,5-6,14H2,(H,18,21)(H,22,23)/t9-/s2
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1.91E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA3 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50159748
PNG
(CHEMBL3785581)
Show SMILES CCNCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C17H21N7O4/c1-2-19-8-10-4-3-5-11(6-10)9-24-21-15(20-23-24)14-12(16(25)22-28-14)7-13(18)17(26)27/h3-6,13,19H,2,7-9,18H2,1H3,(H,22,25)(H,26,27)/t13-/s2
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2.23E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA3 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50159750
PNG
(CHEMBL3786611)
Show SMILES CC(C)NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C18H23N7O4/c1-10(2)20-8-11-4-3-5-12(6-11)9-25-22-16(21-24-25)15-13(17(26)23-29-15)7-14(19)18(27)28/h3-6,10,14,20H,7-9,19H2,1-2H3,(H,23,26)(H,27,28)/t14-/s2
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5.50E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA2 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50159752
PNG
(CHEMBL3786824)
Show SMILES N[C@@H](Cc1c(O)noc1-c1nnn(Cc2ccncc2)n1)C(O)=O
Show InChI InChI=1/C13H13N7O4/c14-9(13(22)23)5-8-10(24-18-12(8)21)11-16-19-20(17-11)6-7-1-3-15-4-2-7/h1-4,9H,5-6,14H2,(H,18,21)(H,22,23)/t9-/s2
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5.56E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA4 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50159748
PNG
(CHEMBL3785581)
Show SMILES CCNCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C17H21N7O4/c1-2-19-8-10-4-3-5-11(6-10)9-24-21-15(20-23-24)14-12(16(25)22-28-14)7-13(18)17(26)27/h3-6,13,19H,2,7-9,18H2,1H3,(H,22,25)(H,26,27)/t13-/s2
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8.45E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA2 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50159752
PNG
(CHEMBL3786824)
Show SMILES N[C@@H](Cc1c(O)noc1-c1nnn(Cc2ccncc2)n1)C(O)=O
Show InChI InChI=1/C13H13N7O4/c14-9(13(22)23)5-8-10(24-18-12(8)21)11-16-19-20(17-11)6-7-1-3-15-4-2-7/h1-4,9H,5-6,14H2,(H,18,21)(H,22,23)/t9-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA1 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50159752
PNG
(CHEMBL3786824)
Show SMILES N[C@@H](Cc1c(O)noc1-c1nnn(Cc2ccncc2)n1)C(O)=O
Show InChI InChI=1/C13H13N7O4/c14-9(13(22)23)5-8-10(24-18-12(8)21)11-16-19-20(17-11)6-7-1-3-15-4-2-7/h1-4,9H,5-6,14H2,(H,18,21)(H,22,23)/t9-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from recombinant rat GluK3 receptor expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50159750
PNG
(CHEMBL3786611)
Show SMILES CC(C)NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C18H23N7O4/c1-10(2)20-8-11-4-3-5-12(6-11)9-25-22-16(21-24-25)15-13(17(26)23-29-15)7-14(19)18(27)28/h3-6,10,14,20H,7-9,19H2,1-2H3,(H,23,26)(H,27,28)/t14-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from recombinant rat GluK3 receptor expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate


(Rattus norvegicus)
BDBM50159748
PNG
(CHEMBL3785581)
Show SMILES CCNCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C17H21N7O4/c1-2-19-8-10-4-3-5-11(6-10)9-24-21-15(20-23-24)14-12(16(25)22-28-14)7-13(18)17(26)27/h3-6,13,19H,2,7-9,18H2,1H3,(H,22,25)(H,26,27)/t13-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from recombinant rat GluK3 receptor expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50159752
PNG
(CHEMBL3786824)
Show SMILES N[C@@H](Cc1c(O)noc1-c1nnn(Cc2ccncc2)n1)C(O)=O
Show InChI InChI=1/C13H13N7O4/c14-9(13(22)23)5-8-10(24-18-12(8)21)11-16-19-20(17-11)6-7-1-3-15-4-2-7/h1-4,9H,5-6,14H2,(H,18,21)(H,22,23)/t9-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from recombinant rat GluK2(V,C,R) receptor expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50159750
PNG
(CHEMBL3786611)
Show SMILES CC(C)NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C18H23N7O4/c1-10(2)20-8-11-4-3-5-12(6-11)9-25-22-16(21-24-25)15-13(17(26)23-29-15)7-14(19)18(27)28/h3-6,10,14,20H,7-9,19H2,1-2H3,(H,23,26)(H,27,28)/t14-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from recombinant rat GluK2(V,C,R) receptor expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50159748
PNG
(CHEMBL3785581)
Show SMILES CCNCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1
Show InChI InChI=1/C17H21N7O4/c1-2-19-8-10-4-3-5-11(6-10)9-24-21-15(20-23-24)14-12(16(25)22-28-14)7-13(18)17(26)27/h3-6,13,19H,2,7-9,18H2,1H3,(H,22,25)(H,26,27)/t13-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]KA from recombinant rat GluK2(V,C,R) receptor expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2


(Rattus norvegicus)
BDBM50159752
PNG
(CHEMBL3786824)
Show SMILES N[C@@H](Cc1c(O)noc1-c1nnn(Cc2ccncc2)n1)C(O)=O
Show InChI InChI=1/C13H13N7O4/c14-9(13(22)23)5-8-10(24-18-12(8)21)11-16-19-20(17-11)6-7-1-3-15-4-2-7/h1-4,9H,5-6,14H2,(H,18,21)(H,22,23)/t9-/s2
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]AMPA from recombinant rat GluA2 receptor flop isoform expressed in sf9 insect cells


J Med Chem 59: 2244-54 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01982
BindingDB Entry DOI: 10.7270/Q2PK0J1R
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50117573
PNG
(14,16-dimethyl-14-azonia-6-azatetracyclo[7.5.3.01,...)
Show SMILES C[NH+]1CCCC2C3Cc4[nH]c(=O)ccc4C12CC(C)=C3
Show InChI InChI=1/C17H22N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,18,20)/p+1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.


Bioorg Med Chem Lett 12: 2565-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00482-1
BindingDB Entry DOI: 10.7270/Q2CZ37Q4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50159747
PNG
(16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]he...)
Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)NCCC[C@H]23
Show InChI InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16-/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined


Bioorg Med Chem Lett 15: 523-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.060
BindingDB Entry DOI: 10.7270/Q2Z89BW8
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))
BDBM50159747
PNG
(16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]he...)
Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)NCCC[C@H]23
Show InChI InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16-/m0/s1
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n/an/a 1.57E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase from rat serum


Bioorg Med Chem Lett 15: 523-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.060
BindingDB Entry DOI: 10.7270/Q2Z89BW8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50159738
PNG
(14-[2-benzyl(methyl)aminoacetyl]-16-methyl-6,14-di...)
Show SMILES CN(CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O2/c1-18-13-20-14-23-22(10-11-24(30)27-23)26(15-18)21(20)9-6-12-29(26)25(31)17-28(2)16-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20-21H,6,9,12,14-17H2,1-2H3,(H,27,30)/t20-,21+,26+/m0/s1
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n/an/a 5.07E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined


Bioorg Med Chem Lett 15: 523-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.060
BindingDB Entry DOI: 10.7270/Q2Z89BW8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50159737
PNG
(14-(2-benzylanilinoethyl)-16-methyl-6,14-diazatetr...)
Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H35N3O/c1-23-19-25-20-29-28(14-15-30(35)32-29)31(21-23)27(25)13-8-16-34(31)18-17-33(26-11-6-3-7-12-26)22-24-9-4-2-5-10-24/h2-7,9-12,14-15,19,25,27H,8,13,16-18,20-22H2,1H3,(H,32,35)/t25-,27+,31+/m0/s1
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n/an/a>5.40E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined


Bioorg Med Chem Lett 15: 523-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.060
BindingDB Entry DOI: 10.7270/Q2Z89BW8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50159751
PNG
(16-methyl-14-[2-methyl(3-phenylpropyl)aminoethyl]-...)
Show SMILES CN(CCCc1ccccc1)CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3
Show InChI InChI=1S/C28H37N3O/c1-21-18-23-19-26-25(12-13-27(32)29-26)28(20-21)24(23)11-7-15-31(28)17-16-30(2)14-6-10-22-8-4-3-5-9-22/h3-5,8-9,12-13,18,23-24H,6-7,10-11,14-17,19-20H2,1-2H3,(H,29,32)/t23-,24+,28+/m0/s1
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n/an/a 9.53E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined


Bioorg Med Chem Lett 15: 523-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.060
BindingDB Entry DOI: 10.7270/Q2Z89BW8
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50159741
PNG
(CHEMBL3785564)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1/C45H54N4O5/c1-45(2,3)54-44(53)48-39(42(51)47-31-38(34-21-9-5-10-22-34)35-23-11-6-12-24-35)27-15-16-29-46-43(52)40-30-36-25-13-14-26-37(36)32-49(40)41(50)28-17-20-33-18-7-4-8-19-33/h4-14,18-19,21-26,38-40H,15-17,20,27-32H2,1-3H3,(H,46,52)(H,47,51)(H,48,53)/t39-,40-/s2
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n/an/an/an/a 8.51E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay


J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50117573
PNG
(14,16-dimethyl-14-azonia-6-azatetracyclo[7.5.3.01,...)
Show SMILES C[NH+]1CCCC2C3Cc4[nH]c(=O)ccc4C12CC(C)=C3
Show InChI InChI=1/C17H22N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,8,12-13H,3-4,7,9-10H2,1-2H3,(H,18,20)/p+1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant AChE.


Bioorg Med Chem Lett 12: 2565-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00482-1
BindingDB Entry DOI: 10.7270/Q2CZ37Q4
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50159753
PNG
(14-[2-benzyl(methyl)aminoethyl]-16-methyl-6,14-dia...)
Show SMILES CN(CCN1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)Cc1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-19-15-21-16-24-23(10-11-25(30)27-24)26(17-19)22(21)9-6-12-29(26)14-13-28(2)18-20-7-4-3-5-8-20/h3-5,7-8,10-11,15,21-22H,6,9,12-14,16-18H2,1-2H3,(H,27,30)/t21-,22+,26+/m0/s1
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n/an/a 6.65E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined


Bioorg Med Chem Lett 15: 523-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.060
BindingDB Entry DOI: 10.7270/Q2Z89BW8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50113647
PNG
(CHEMBL3604804)
Show SMILES COC(=O)N(Cc1ccc2OCC(=O)Nc2n1)C12CCC(CCc3c(F)cnc4ccc(OC)nc34)(CC1)OC2
Show InChI InChI=1S/C28H30FN5O6/c1-37-23-6-4-20-24(33-23)18(19(29)13-30-20)7-8-28-11-9-27(10-12-28,16-40-28)34(26(36)38-2)14-17-3-5-21-25(31-17)32-22(35)15-39-21/h3-6,13H,7-12,14-16H2,1-2H3,(H,31,32,35)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK499 binding to human ERG


Bioorg Med Chem Lett 25: 3636-43 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.057
BindingDB Entry DOI: 10.7270/Q2VH5QNN
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50159744
PNG
(CHEMBL3787121)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccc(cc1)S(C)(=O)=O)C(=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1/C46H54N4O8S/c1-46(2,3)58-45(55)49-39(43(53)48-30-38(32-15-7-5-8-16-32)33-17-9-6-10-18-33)21-13-14-28-47-44(54)40-29-35-19-11-12-20-36(35)31-50(40)42(52)27-26-41(51)34-22-24-37(25-23-34)59(4,56)57/h5-12,15-20,22-25,38-40H,13-14,21,26-31H2,1-4H3,(H,47,54)(H,48,53)(H,49,55)/t39-,40-/s2
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n/an/an/an/a 1.23E+3n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay


J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
chemokine (C-X-C motif) receptor 3


(Homo sapiens (Human))
BDBM50159739
PNG
(CHEMBL3786459)
Show SMILES COc1ccc(cc1OC)C(=O)CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1/C47H56N4O8/c1-47(2,3)59-46(56)50-38(44(54)49-30-37(32-16-8-6-9-17-32)33-18-10-7-11-19-33)22-14-15-27-48-45(55)39-28-34-20-12-13-21-36(34)31-51(39)43(53)26-24-40(52)35-23-25-41(57-4)42(29-35)58-5/h6-13,16-21,23,25,29,37-39H,14-15,22,24,26-28,30-31H2,1-5H3,(H,48,55)(H,49,54)(H,50,56)/t38-,39-/s2
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n/an/an/an/a 50n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CXCR3 expressed in HEK293T cell membranes after 30 mins by [35S]GTPgammaS incorporation assay


J Med Chem 59: 2222-43 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01965
BindingDB Entry DOI: 10.7270/Q2T72KBR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50159755
PNG
(16-methyl-14-{2-[4-(3-pyridylmethyl)hexahydro-1-py...)
Show SMILES CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCN(Cc2cccnc2)CC1
Show InChI InChI=1S/C28H37N5O/c1-21-16-23-17-26-25(6-7-27(34)30-26)28(18-21)24(23)5-3-9-33(28)15-14-31-10-12-32(13-11-31)20-22-4-2-8-29-19-22/h2,4,6-8,16,19,23-24H,3,5,9-15,17-18,20H2,1H3,(H,30,34)/t23-,24+,28+/m0/s1
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n/an/a 2.67E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase from rat cortex homogenate by ellman method was determined


Bioorg Med Chem Lett 15: 523-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.060
BindingDB Entry DOI: 10.7270/Q2Z89BW8
More data for this
Ligand-Target Pair