BDBM50509510 CHEMBL4564746

SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key InChIKey=JJCUWNNRXLJESQ-HTIJBOQQSA-N

Data  3 KI  3 Kd  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 7 hits for monomerid = 50509510   

TargetNeurotensin receptor type 2(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50509510(CHEMBL4564746)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetNeurotensin receptor type 1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50509510(CHEMBL4564746)
Affinity DataKi:  4.20nMAssay Description:Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetNeurotensin receptor type 1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50509510(CHEMBL4564746)
Affinity DataKi:  7.10nMAssay Description:Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetNeurotensin receptor type 1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50509510(CHEMBL4564746)
Affinity DataKd:  8.10nMAssay Description:Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 75 mins in presence of NT (8 to 13) followed by compound...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetNeurotensin receptor type 1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50509510(CHEMBL4564746)
Affinity DataKd:  15nMAssay Description:Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells incubated for 60 mins in presence of NT (8 to 13) without compound was...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetNeurotensin receptor type 1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50509510(CHEMBL4564746)
Affinity DataKd:  3.60nMAssay Description:Binding affinity to human neurotensin receptor 1 stably expressed in CHO cells preincubated for 20 mins to 2 hrs followed by addition of NT (8 to 13)...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed

TargetNeurotensin receptor type 1(Human)
University of Regensburg

Curated by ChEMBL
LigandPNGBDBM50509510(CHEMBL4564746)
Affinity DataEC50:  1nMAssay Description:Agonist activity at human neurotensin receptor 1 in HT-29 cells assessed as intracellular calcium mobilization by Fura-2 dye based spectrofluorimetry...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed