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2 similar compounds to monomer 50297328

Compile data set for download or QSAR
Wt: 378.5
BDBM50297329
Wt: 378.5
BDBM50297330

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50297329,50297330   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297329
PNG
((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1
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0.930n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297330
PNG
((S)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m0/s1
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PubMed
29n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


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


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297330
PNG
((S)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m0/s1
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PubMed
n/an/an/an/a 420n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297330
PNG
((S)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297329
PNG
((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1
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n/an/a 2.54E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297330
PNG
((S)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m0/s1
PDB
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n/an/a 1.85E+4n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel expressed in HEK293 cells by voltage clamp assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50297329
PNG
((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 by fluorescence-based assay


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50297329
PNG
((R)-N,N-diethyl-4-(spiro[chroman-2,4'-piperidine]-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@H]1CC2(CCNCC2)Oc2ccccc12
Show InChI InChI=1S/C24H30N2O2/c1-3-26(4-2)23(27)19-11-9-18(10-12-19)21-17-24(13-15-25-16-14-24)28-22-8-6-5-7-20(21)22/h5-12,21,25H,3-4,13-17H2,1-2H3/t21-/m1/s1
PDB

Reactome pathway
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Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


J Med Chem 52: 5685-702 (2009)


Article DOI: 10.1021/jm900773n
BindingDB Entry DOI: 10.7270/Q2VD6ZH3
More data for this
Ligand-Target Pair