BDBM50439587 CHEMBL2418879

SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3)CSSC[C@H](NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](CO)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O

InChI Key InChIKey=FDBZRMUJWQXURV-UHFFFAOYSA-N

Data  4 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 = 50439587   

TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50439587BDBM50439587(CHEMBL2418879)
Affinity DataEC50:  0.130nMAssay Description:Agonist activity at OX1 receptor (unknown origin) expressed in RD-HGA16 cells assessed as calcium mobilization by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
Research Triangle Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50439587BDBM50439587(CHEMBL2418879)
Affinity DataEC50:  0.220nMAssay Description:Agonist activity at human OX1 receptor overexpressed in CHO-RD-HGA16 cells assessed as calcium mobilization after 15 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Research Triangle Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50439587BDBM50439587(CHEMBL2418879)
Affinity DataEC50:  1.10nMAssay Description:Agonist activity at human OX2 receptor overexpressed in CHO-RD-HGA16 cells assessed as calcium mobilization after 15 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetOrexin receptor type 2(Human)
Research Triangle Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50439587BDBM50439587(CHEMBL2418879)
Affinity DataEC50:  4.20nMAssay Description:Agonist activity at OX2 receptor (unknown origin) expressed in RD-HGA16 cells assessed as calcium mobilization by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed