BDBM50592970 CHEMBL5188196

SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC2=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1

InChI Key InChIKey=WWDUVSWFUPRTGG-UHFFFAOYSA-N

Data  8 KI

  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 8 hits for monomerid = 50592970   

TargetMelanocortin receptor 5(Human)
Paris-Saclay University

Curated by ChEMBL
LigandPNGBDBM50592970(CHEMBL5188196)
Affinity DataKi:  29nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO cells by Topcount beta counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetMelanocortin receptor 5(Human)
Paris-Saclay University

Curated by ChEMBL
LigandPNGBDBM50592970(CHEMBL5188196)
Affinity DataKi:  30nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO cells by Topcount beta counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetMelanocortin receptor 4(Human)
Paris-Saclay University

Curated by ChEMBL
LigandPNGBDBM50592970(CHEMBL5188196)
Affinity DataKi:  42nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO cells by Topcount beta counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetMelanocortin receptor 4(Human)
Paris-Saclay University

Curated by ChEMBL
LigandPNGBDBM50592970(CHEMBL5188196)
Affinity DataKi:  45nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO cells by Topcount beta counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetMelanocortin receptor 3(Human)
Paris-Saclay University

Curated by ChEMBL
LigandPNGBDBM50592970(CHEMBL5188196)
Affinity DataKi:  69nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells by Topcount beta counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetMelanocortin receptor 3(Human)
Paris-Saclay University

Curated by ChEMBL
LigandPNGBDBM50592970(CHEMBL5188196)
Affinity DataKi:  69.2nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in HEK293 cells by Topcount beta counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetMelanocyte-stimulating hormone receptor(Human)
Paris-Saclay University

Curated by ChEMBL
LigandPNGBDBM50592970(CHEMBL5188196)
Affinity DataKi:  513nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO cells by Topcount beta counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetMelanocyte-stimulating hormone receptor(Human)
Paris-Saclay University

Curated by ChEMBL
LigandPNGBDBM50592970(CHEMBL5188196)
Affinity DataKi:  530nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO cells by Topcount beta counter analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed