BDBM50210327 (2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(4-hydroxyphenyl)ethyl]carbamoyl}butyl]-2-[(2S)-5-carbamimidamido-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-5-carbamimidamido-2-{[2-(methylsulfanyl)pyridin-3-yl]formamido}pentanamido]-3-(1H-imidazol-5-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-carbamoylpropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]pentanamido]pentanediamide::CHEMBL437487

SMILES CSc1ncccc1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O

InChI Key InChIKey=MMMBXVPGDXDBMG-UHFFFAOYSA-N

Data  3 KI  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 4 hits for monomerid = 50210327   

TargetNeuropeptide Y receptor type 2(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50210327((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Affinity DataEC50:  4nMAssay Description:Agonist activity at human NPY2 by [35S]GTPgammaS cAMP accumulation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuropeptide Y receptor type 2(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50210327((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Affinity DataKi:  11nMAssay Description:Displacement of [125I]PYY from human NPY2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuropeptide Y receptor type 5(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50210327((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [125I]PYY from human NPY5More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuropeptide Y receptor type 1(Human)
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50210327((2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoy...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [125I]PYY from human NPY1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed