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4 similar compounds to monomer 50105831

Compile data set for download or QSAR
Wt: 382.4
BDBM50130616
Wt: 334.4
BDBM50316374
Wt: 327.7
BDBM50069311
Wt: 322.3
BDBM50105840

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50130616,50316374,50069311,50105840   
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105840
PNG
(CHEMBL3597591)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
Show InChI InChI=1S/C18H18N4O2/c23-22(24)17-9-4-10-19-18(17)21-14-12-20(13-15-21)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2
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Article
PubMed
61n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50105840
PNG
(CHEMBL3597591)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
Show InChI InChI=1S/C18H18N4O2/c23-22(24)17-9-4-10-19-18(17)21-14-12-20(13-15-21)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2
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117n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50105840
PNG
(CHEMBL3597591)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
Show InChI InChI=1S/C18H18N4O2/c23-22(24)17-9-4-10-19-18(17)21-14-12-20(13-15-21)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from rat cloned mGluR1 receptor expressed in CHO-T-Rex cells after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


Article DOI: 10.1016/j.bmc.2015.05.008
BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130616
PNG
(2-Amino-N-[4-(2-amino-3-phenyl-propionylamino)-but...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C22H30N4O2/c23-19(15-17-9-3-1-4-10-17)21(27)25-13-7-8-14-26-22(28)20(24)16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,23-24H2,(H,25,27)(H,26,28)/t19-,20+
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1.53E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 using [3H]-DAGO in rat brain P2 synaptosomal preparation


J Med Chem 46: 3201-9 (2003)


Article DOI: 10.1021/jm020459z
BindingDB Entry DOI: 10.7270/Q28C9VMQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50130616
PNG
(2-Amino-N-[4-(2-amino-3-phenyl-propionylamino)-but...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C22H30N4O2/c23-19(15-17-9-3-1-4-10-17)21(27)25-13-7-8-14-26-22(28)20(24)16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16,23-24H2,(H,25,27)(H,26,28)/t19-,20+
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4.62E+4n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 using [3H]-DPDPE in rat brain P2 synaptosomal preparation


J Med Chem 46: 3201-9 (2003)


Article DOI: 10.1021/jm020459z
BindingDB Entry DOI: 10.7270/Q28C9VMQ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 4


(Rattus norvegicus)
BDBM50316374
PNG
(CHEMBL1096289 | N-(4-hydroxyphenylpropanyl)-spermi...)
Show SMILES NCCCNCCCCNCCCNC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
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n/an/a 320n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA4 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Glutamate receptor 1 (GluA1)


(Rattus norvegicus (Rat))
BDBM50316374
PNG
(CHEMBL1096289 | N-(4-hydroxyphenylpropanyl)-spermi...)
Show SMILES NCCCNCCCCNCCCNC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
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n/an/a 460n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA1 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50316374
PNG
(CHEMBL1096289 | N-(4-hydroxyphenylpropanyl)-spermi...)
Show SMILES NCCCNCCCCNCCCNC(=O)CCc1ccccc1
Show InChI InChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
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n/an/a 64n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GluA3 receptor expressed in Xenopus oocytes assessed as inhibition of 300 uM kainate-induced current


Bioorg Med Chem 18: 1381-7 (2010)


Article DOI: 10.1016/j.bmc.2009.12.072
BindingDB Entry DOI: 10.7270/Q27W6CB2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50069311
PNG
(CHEMBL3403551)
Show SMILES Cc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1cc(N)ncn1
Show InChI InChI=1S/C16H14ClN5O/c1-8-2-3-9(17)4-10(8)11-5-13(22-15(11)16(19)23)12-6-14(18)21-7-20-12/h2-7,22H,1H3,(H2,19,23)(H2,18,20,21)
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n/an/a 690n/an/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

Curated by ChEMBL


Assay Description
Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...


Bioorg Med Chem 23: 2387-407 (2015)


Article DOI: 10.1016/j.bmc.2015.03.059
BindingDB Entry DOI: 10.7270/Q2Q52RB6
More data for this
Ligand-Target Pair