BDBM50143272 6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoylamino)-3-cyclohexyl-propionylamino]-5-oxo-hexahydro-thiazolo[3,2-a]pyridine-3-carboxylic acid {(R)-1-[1-carbamoyl-2-(4-chloro-phenyl)-ethylcarbamoyl]-4-guanidino-butyl}-amide::CHEMBL3144471

SMILES [H][C@]12[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]1-[#6@@H](-[#6]-[#16]2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-c1ccc(Cl)cc1)-[#6](-[#7])=O

InChI Key InChIKey=IPPOHFLVXXPFJA-UHFFFAOYSA-N

Data  4 KI

  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 = 50143272   

TargetNociceptin receptor(Human)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50143272(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Affinity DataKi:  78nMAssay Description:Binding affinity against human opioid receptor like 1 (hORL) was determined using [leucyl-3H]nociceptin in vitro in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50143272(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Affinity DataKi:  78nMAssay Description:Binding affinity against human Opioid receptor kappa 1 (hKOR) was determined using [3H]diprenorphine in vitro in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50143272(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Affinity DataKi:  78nMAssay Description:Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandPNGBDBM50143272(6-[2-((2S,3R)-2-Acetylamino-5-guanidino-pentanoyla...)
Affinity DataKi:  222nMAssay Description:Binding affinity against human opioid receptor delta 1 was determined using [3H]diprenorphine in vitro transfected to COS-1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed