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PubMed code 19646882

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Delta-type opioid receptor


(MOUSE)		BDBM50190362
PNG
(1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...)
Show SMILES CN(C)Cc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-23-22-19(14-24(4)5)25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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 460n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50190374
PNG
(1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylaminome...)
Show SMILES CN(C)Cc1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-23-22-19(14-24(4)5)25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
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 2.60E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50190374
PNG
(1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylaminome...)
Show SMILES CN(C)Cc1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-23-22-19(14-24(4)5)25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50190374
PNG
(1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylaminome...)
Show SMILES CN(C)Cc1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-23-22-19(14-24(4)5)25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50190362
PNG
(1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...)
Show SMILES CN(C)Cc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-23-22-19(14-24(4)5)25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50190362
PNG
(1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylaminome...)
Show SMILES CN(C)Cc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-23-22-19(14-24(4)5)25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a 5.80n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304084
PNG
(3-(2-(3-tert-Butylphenyl)-5-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-7-10-17(13-16)25-20(15-8-6-11-18(26)12-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
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n/an/a 29n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304084
PNG
(3-(2-(3-tert-Butylphenyl)-5-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-7-10-17(13-16)25-20(15-8-6-11-18(26)12-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
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n/an/a 46n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304082
PNG
(3-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(c2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-22-19(14-24(4)5)23-25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a 49n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304076
PNG
(3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-11-17(12-10-16)25-20(15-7-6-8-18(26)13-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
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n/an/a 121n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304084
PNG
(3-(2-(3-tert-Butylphenyl)-5-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-7-10-17(13-16)25-20(15-8-6-11-18(26)12-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
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n/an/a 245n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304083
PNG
(3-(3-((Dimethylamino)methyl)-5-(2,4-dimethylphenyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(C)cc2C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C19H22N4O/c1-13-8-9-17(14(2)10-13)19-20-18(12-22(3)4)21-23(19)15-6-5-7-16(24)11-15/h5-11,24H,12H2,1-4H3
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n/an/a 273n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304082
PNG
(3-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(c2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-22-19(14-24(4)5)23-25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a 341n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304083
PNG
(3-(3-((Dimethylamino)methyl)-5-(2,4-dimethylphenyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(C)cc2C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C19H22N4O/c1-13-8-9-17(14(2)10-13)19-20-18(12-22(3)4)21-23(19)15-6-5-7-16(24)11-15/h5-11,24H,12H2,1-4H3
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n/an/a 351n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304076
PNG
(3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-11-17(12-10-16)25-20(15-7-6-8-18(26)13-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
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n/an/a 760n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304078
PNG
((1-(3-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-c1nc(CN(C)C)nn1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-8-11-18(14-17)26-21(23-20(24-26)15-25(4)5)16-9-7-12-19(13-16)27-6/h7-14H,15H2,1-6H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304081
PNG
((5-(3-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-7-9-16(13-17)21-23-20(15-25(4)5)24-26(21)18-11-8-12-19(14-18)27-6/h7-14H,15H2,1-6H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304080
PNG
((5-(4-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-12-10-16(11-13-17)21-23-20(15-25(4)5)24-26(21)18-8-7-9-19(14-18)27-6/h7-14H,15H2,1-6H3
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PubMed
n/an/a 2.31E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304083
PNG
(3-(3-((Dimethylamino)methyl)-5-(2,4-dimethylphenyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(C)cc2C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C19H22N4O/c1-13-8-9-17(14(2)10-13)19-20-18(12-22(3)4)21-23(19)15-6-5-7-16(24)11-15/h5-11,24H,12H2,1-4H3
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n/an/a 2.44E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304082
PNG
(3-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(c2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-6-8-15(12-16)20-22-19(14-24(4)5)23-25(20)17-10-7-11-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a 3.85E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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n/an/a 6.07E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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PubMed
n/an/a 7.75E+3n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT2B receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT6 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of dopamine D1 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of Alpha-2C adrenergic receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of beta-1 adrenergic receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of beta3 adrenergic receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of histamine H4 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT3 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M5 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of beta2 adrenergic receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304080
PNG
((5-(4-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-12-10-16(11-13-17)21-23-20(15-25(4)5)24-26(21)18-8-7-9-19(14-18)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of Alpha-1B adrenergic receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of DAT

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304081
PNG
((5-(3-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-7-9-16(13-17)21-23-20(15-25(4)5)24-26(21)18-11-8-12-19(14-18)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of alpha1A adrenergic receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M4 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of NET

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT1D receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304078
PNG
((1-(3-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-c1nc(CN(C)C)nn1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-8-11-18(14-17)26-21(23-20(24-26)15-25(4)5)16-9-7-12-19(13-16)27-6/h7-14H,15H2,1-6H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304078
PNG
((1-(3-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-c1nc(CN(C)C)nn1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-8-11-18(14-17)26-21(23-20(24-26)15-25(4)5)16-9-7-12-19(13-16)27-6/h7-14H,15H2,1-6H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304081
PNG
((5-(3-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-7-9-16(13-17)21-23-20(15-25(4)5)24-26(21)18-11-8-12-19(14-18)27-6/h7-14H,15H2,1-6H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304079
PNG
((5-(2,4-Dimethylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(C)cc1C
Show InChI InChI=1S/C20H24N4O/c1-14-9-10-18(15(2)11-14)20-21-19(13-23(3)4)22-24(20)16-7-6-8-17(12-16)25-5/h6-12H,13H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304079
PNG
((5-(2,4-Dimethylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(C)cc1C
Show InChI InChI=1S/C20H24N4O/c1-14-9-10-18(15(2)11-14)20-21-19(13-23(3)4)22-24(20)16-7-6-8-17(12-16)25-5/h6-12H,13H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304077
PNG
((1-(4-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-c1nc(CN(C)C)nn1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-12-18(13-11-17)26-21(23-20(24-26)15-25(4)5)16-8-7-9-19(14-16)27-6/h7-14H,15H2,1-6H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304077
PNG
((1-(4-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-c1nc(CN(C)C)nn1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-12-18(13-11-17)26-21(23-20(24-26)15-25(4)5)16-8-7-9-19(14-16)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT1A receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT1B receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1E


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT1E receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of alpha2B adrenergic receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M2 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT5A receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304077
PNG
((1-(4-tert-Butylphenyl)-5-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-c1nc(CN(C)C)nn1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-10-12-18(13-11-17)26-21(23-20(24-26)15-25(4)5)16-8-7-9-19(14-16)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)		BDBM50304076
PNG
(3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2cccc(O)c2)n(n1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-9-11-17(12-10-16)25-20(15-7-6-8-18(26)13-15)22-19(23-25)14-24(4)5/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse mu opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M3 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of dopamine D5 receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50304075
PNG
(3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl...)
Show SMILES CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-11-9-15(10-12-16)20-22-19(14-24(4)5)23-25(20)17-7-6-8-18(26)13-17/h6-13,26H,14H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Inhibition of SERT

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)		BDBM50304079
PNG
((5-(2,4-Dimethylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(C)cc1C
Show InChI InChI=1S/C20H24N4O/c1-14-9-10-18(15(2)11-14)20-21-19(13-23(3)4)22-24(20)16-7-6-8-17(12-16)25-5/h6-12H,13H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from mouse delta opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))		BDBM50304080
PNG
((5-(4-tert-Butylphenyl)-1-(3-methoxyphenyl)-1H-1,2...)
Show SMILES COc1cccc(c1)-n1nc(CN(C)C)nc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-12-10-16(11-13-17)21-23-20(15-25(4)5)24-26(21)18-8-7-9-19(14-18)27-6/h7-14H,15H2,1-6H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ

Curated by ChEMBL


Assay Description
Displacement of [3H]bremazocine from rat kappa opioid receptor expressed in HEK293 cells by liquid scintillation counting

Bioorg Med Chem 17: 6442-50 (2009)


Article DOI: 10.1016/j.bmc.2009.07.007
BindingDB Entry DOI: 10.7270/Q2QZ2B14
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%