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 CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NC(Cc3ccc(Cl)cc3)C(N)=O)N2C1=O

InChI Key InChIKey=IPPOHFLVXXPFJA-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50143272   

TargetNociceptin receptor(Human)
Vrije Universiteit Brussel

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50143272BDBM50143272(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
LigandChemical structure of BindingDB Monomer ID 50143272BDBM50143272(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
LigandChemical structure of BindingDB Monomer ID 50143272BDBM50143272(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
LigandChemical structure of BindingDB Monomer ID 50143272BDBM50143272(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