BDBM220391 US9290488, CC01

SMILES OC(=O)[C@@H]1CCCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)c1=O

InChI Key InChIKey=GFNBXBCDXFPVOU-KCHOGCGJSA-N

Data  3 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 3 hits for monomerid = 220391   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM220391(US9290488, CC01)
Affinity DataKi:  38nM ΔG°:  -10.1kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 μg membrane protein (recombinant kappa opioid rece...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetOpioid growth factor receptor-like protein 1(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM220391(US9290488, CC01)
Affinity DataKi:  98nM ΔG°:  -9.55kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 μg membrane protein in a ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
Purdue Pharma

US Patent
LigandPNGBDBM220391(US9290488, CC01)
Affinity DataKi:  919nM ΔG°:  -8.23kcal/molepH: 7.4 T: 2°CAssay Description:Radioligand binding assays were conducted using freshly thawed membranes expressing human μ-receptors (Perkin Elmer, Shelton, Conn.). Radioligand ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent