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BDBM50204770 8-[bis-(4-fluoro-phenyl)-methyl]-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL391703

SMILES: Fc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1

InChI Key: InChIKey=YROLXDODAUVJLI-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50204770   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50204770
PNG
(8-[bis-(4-fluoro-phenyl)-methyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H25F2N3O/c27-21-10-6-19(7-11-21)24(20-8-12-22(28)13-9-20)30-16-14-26(15-17-30)25(32)29-18-31(26)23-4-2-1-3-5-23/h1-13,24H,14-18H2,(H,29,32)
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Article
PubMed
49n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50204770
PNG
(8-[bis-(4-fluoro-phenyl)-methyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H25F2N3O/c27-21-10-6-19(7-11-21)24(20-8-12-22(28)13-9-20)30-16-14-26(15-17-30)25(32)29-18-31(26)23-4-2-1-3-5-23/h1-13,24H,14-18H2,(H,29,32)
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PubMed
787n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50204770
PNG
(8-[bis-(4-fluoro-phenyl)-methyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H25F2N3O/c27-21-10-6-19(7-11-21)24(20-8-12-22(28)13-9-20)30-16-14-26(15-17-30)25(32)29-18-31(26)23-4-2-1-3-5-23/h1-13,24H,14-18H2,(H,29,32)
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2.01E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50204770
PNG
(8-[bis-(4-fluoro-phenyl)-methyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H25F2N3O/c27-21-10-6-19(7-11-21)24(20-8-12-22(28)13-9-20)30-16-14-26(15-17-30)25(32)29-18-31(26)23-4-2-1-3-5-23/h1-13,24H,14-18H2,(H,29,32)
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PubMed
5.60E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair