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SMILES: CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1

InChI Key: InChIKey=FMANFSUOSWWJNA-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50106523   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50106523
PNG
(CHEMBL3601038)
Show SMILES CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C27H33N5O2/c1-21(33)29-24-15-18-32(19-16-24)20-22-9-11-23(12-10-22)28-17-5-6-25-13-14-27(31-30-25)34-26-7-3-2-4-8-26/h2-4,7-14,24,28H,5-6,15-20H2,1H3,(H,29,33)
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50106523
PNG
(CHEMBL3601038)
Show SMILES CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C27H33N5O2/c1-21(33)29-24-15-18-32(19-16-24)20-22-9-11-23(12-10-22)28-17-5-6-25-13-14-27(31-30-25)34-26-7-3-2-4-8-26/h2-4,7-14,24,28H,5-6,15-20H2,1H3,(H,29,33)
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MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50106523
PNG
(CHEMBL3601038)
Show SMILES CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C27H33N5O2/c1-21(33)29-24-15-18-32(19-16-24)20-22-9-11-23(12-10-22)28-17-5-6-25-13-14-27(31-30-25)34-26-7-3-2-4-8-26/h2-4,7-14,24,28H,5-6,15-20H2,1H3,(H,29,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50106523
PNG
(CHEMBL3601038)
Show SMILES CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C27H33N5O2/c1-21(33)29-24-15-18-32(19-16-24)20-22-9-11-23(12-10-22)28-17-5-6-25-13-14-27(31-30-25)34-26-7-3-2-4-8-26/h2-4,7-14,24,28H,5-6,15-20H2,1H3,(H,29,33)
UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor (unknown origin)


Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair