BDBM50262290 4-[(3S,6S,9S,12S,20S)-6-(3-{[amino(iminiumyl)methyl]amino}propyl)-20-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}ethyl]carbamoyl}-12-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}acetamido)-3-phenylpropanamido]-3-hydroxybutanamido]-9-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,15-pentaazacycloicosan-3-yl]butan-1-aminium::CID44577998::cyclo [Asp6, Lys10] N/OFQ(1-13)NH2

SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7+])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O

InChI Key InChIKey=CRCJMTSNKABLOM-UHFFFAOYSA-N

Data  1 KI  1 EC50

  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 2 hits for monomerid = 50262290   

TargetNociceptin receptor(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50262290(4-[(3S,6S,9S,12S,20S)-6-(3-{[amino(iminiumyl)methy...)
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]N/OFQ from human NOP receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50262290(4-[(3S,6S,9S,12S,20S)-6-(3-{[amino(iminiumyl)methy...)
Affinity DataEC50:  4.12nMAssay Description:Agonist activity at human NOP receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed