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BDBM50137561 1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one::CHEMBL291901::SR-14135

SMILES: O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1

InChI Key: InChIKey=KMUYAJQKQQUKSQ-HBFSDRIKSA-N

Data: 4 KI  3 EC50

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 7 hits for monomerid = 50137561   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1
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48n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human opioid receptor mu 1 using [3H]- DAMGO as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1
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271n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human opioid receptor kappa 1 using [3H]- U-69,593 as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1
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786n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity for human opioid receptor delta 1 using [3H]- CL-DPDPE as radioligand transfected into CHO cells


Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50137561
PNG
(1-((2S,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)...)
Show SMILES O=c1[nH]c2ccccc2n1[C@H]1CCN2[C@H](CCC[C@H]2c2ccccc2)C1
Show InChI InChI=1S/C22H25N3O/c26-22-23-19-10-4-5-11-21(19)25(22)18-13-14-24-17(15-18)9-6-12-20(24)16-7-2-1-3-8-16/h1-5,7-8,10-11,17-18,20H,6,9,12-15H2,(H,23,26)/t17-,18+,20+/m1/s1
PDB

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PC sid
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n/an/an/an/a>1.00E+4n/an/an/an/a



SRI International

Curated by ChEMBL




Bioorg Med Chem Lett 14: 181-5 (2003)


BindingDB Entry DOI: 10.7270/Q24X58BV
More data for this
Ligand-Target Pair