BDBM50545751 CHEMBL4633001

SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC3=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)CC)[C@@H](C)O

InChI Key InChIKey=NRKDEONHSXODFG-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50545751   

TargetMelanocyte-stimulating hormone receptor(Human)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50545751(CHEMBL4633001)
Affinity DataKi:  1.80E+3nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC1R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetMelanocortin receptor 4(Human)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50545751(CHEMBL4633001)
Affinity DataKi:  7.10E+3nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC4R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetMelanocortin receptor 5(Human)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50545751(CHEMBL4633001)
Affinity DataKi:  1.00E+4nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC5R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed
TargetMelanocortin receptor 3(Human)
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50545751(CHEMBL4633001)
Affinity DataKi:  1.98E+4nMAssay Description:Displacement of [125I]-NDP-alpha-MSH from human MC3R expressed in CHO-K1 cell membranes incubated for 3 hrs by top-count beta countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2021
Entry Details Article
PubMed