BDBM50590030 CHEMBL5175487

SMILES CCCC[C@@H]1NC(=O)[C@@H]2CSCc3cccc(c3)CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2

InChI Key InChIKey=NOLFWMRTIVNJFP-UHFFFAOYSA-N

Data  3 KI  1 IC50  3 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 = 50590030   

TargetMelanocyte-stimulating hormone receptor(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590030BDBM50590030(CHEMBL5175487)
Affinity DataEC50:  0.0871nMAssay Description:Agonist activity at human MC1R expressed in HEK2936E cells assessed as cAMP production in presence of IBMX by time resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetMelanocortin receptor 3(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590030BDBM50590030(CHEMBL5175487)
Affinity DataEC50:  0.309nMAssay Description:Agonist activity at human MC3R expressed in HEK2936E cells assessed as cAMP production in presence of IBMX by time resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetMelanocyte-stimulating hormone receptor(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590030BDBM50590030(CHEMBL5175487)
Affinity DataKi:  0.407nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in HEK2936E cell membrane measured after 16 to 23 hrs by 1450 microbeta trilux scintil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetMelanocortin receptor 4(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590030BDBM50590030(CHEMBL5175487)
Affinity DataEC50:  1.40nMAssay Description:Antagonist activity at human MC4R expressed in HEK2936E cells assessed as cAMP production in presence of IBMX by time resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetMelanocortin receptor 3(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590030BDBM50590030(CHEMBL5175487)
Affinity DataKi:  13nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK2936E cell membrane measured after 16 to 23 hrs by 1450 microbeta trilux scintil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetMelanocortin receptor 4(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590030BDBM50590030(CHEMBL5175487)
Affinity DataKi:  35nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in HEK2936E cell membrane measured after 16 to 23 hrs by 1450 microbeta trilux scintil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed
TargetMelanocortin receptor 5(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50590030BDBM50590030(CHEMBL5175487)
Affinity DataIC50: 138nMAssay Description:Agonist activity at human MC5R expressed in HEK2936E cells assessed as cAMP production in presence of IBMX by time resolved fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2023
Entry Details
PubMed