BDBM50409025 CHEMBL2112246

SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O

InChI Key InChIKey=XXUOOQREUFQRJA-AUIUKIKHSA-N

Data  5 IC50

  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 5 hits for monomerid = 50409025   

TargetSubstance-P receptor(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50409025(CHEMBL2112246)
Affinity DataIC50:  220nMAssay Description:Tested for binding affinity against Tachykinin receptor 1 expressed in CHO cells, using [125]SP as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50409025(CHEMBL2112246)
Affinity DataIC50:  240nMAssay Description:Tested for binding affinity against human wild type NK1 receptor expressed in CHO cells, using [125]SP as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50409025(CHEMBL2112246)
Affinity DataIC50:  6.10E+3nMAssay Description:Tested for binding affinity against H265A mutant NK1 receptor using [125]SP radioligand in COS cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50409025(CHEMBL2112246)
Affinity DataIC50:  950nMAssay Description:Tested for binding affinity against H197A mutant NK1 receptor using [125]SP radioligand in COS cells.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
University Of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50409025(CHEMBL2112246)
Affinity DataIC50:  27nMAssay Description:Tested for binding affinity against Tachykinin receptor 2 expressed in CHO cells, using [125]SP as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed