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BDBM50029096 CHEMBL3361425

SMILES: NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1

InChI Key: InChIKey=SCPYAGLHLAAYFP-UHFFFAOYSA-N

Data: 5 KI  1 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50029096   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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PubMed
81n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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201n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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224n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human KOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
NPFF2


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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1.43E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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2.49E+3n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in HEK293 cells after 60 mins by scintillation counting analysis


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 1


(Homo sapiens (Human))
BDBM50029096
PNG
(CHEMBL3361425)
Show SMILES NC(=N)NCCNC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
Show InChI InChI=1S/C22H30N6O/c23-21(24)26-14-13-25-20(29)22(27-19-9-5-2-6-10-19)11-15-28(16-12-22)17-18-7-3-1-4-8-18/h1-10,27H,11-17H2,(H,25,29)(H4,23,24,26)
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n/an/an/an/a 3.52E+3n/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Antagonist activity at human NPFF1 receptor expressed in CHO cells assessed as reversal of NPVF-induced inhibition of intracellular cAMP accumulation...


J Med Chem 57: 8903-27 (2014)


Article DOI: 10.1021/jm500989n
BindingDB Entry DOI: 10.7270/Q2C24Z18
More data for this
Ligand-Target Pair