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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for monomerid = 50440737   
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
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTSR1 (unknown origin) expressed in CHO cells assessed as potentiation of NT(8-13) peptide-induced change in intracellular Ca2+ l...


Bioorg Med Chem Lett 24: 3974-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.033
BindingDB Entry DOI: 10.7270/Q2ZP47RG
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 2.00E+3n/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in human U2OS cells coexpressing beta-arrestin by GFP reporter gene assay


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 2.87E+3n/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Allosteric modulation of human GFP-fused PK-tagged Gq-coupled NTR1 expressed in CHOK1 cells assessed as induction of NT (8 to 13) peptide-mediated be...


J Med Chem 62: 8357-8363 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00340
BindingDB Entry DOI: 10.7270/Q2HQ438V
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a 3.41E+3n/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in CHOK1 cells by beta-arrestin assay


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
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n/an/an/an/a>4.00E+4n/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at GPR35 (unknown origin) expressed in human U2OS cells coexpressing beta-arrestin by GFP reporter gene assay


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50440737
PNG
(CHEMBL2431120)
Show SMILES COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CC1
Show InChI InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
PDB

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n/an/an/an/a>8.00E+4n/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in CHO cells assessed as stimulation of calcium flux


ACS Med Chem Lett 4: 846-851 (2013)


Article DOI: 10.1021/ml400176n
BindingDB Entry DOI: 10.7270/Q2959JZQ
More data for this
Ligand-Target Pair