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PubMed code 16821764

Compile data set for download or QSAR
Found 54 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


(Homo sapiens (Human))
BDBM50190370
PNG
(1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-11-9-14(10-12-15)18-21-22-19(23(4)5)24(18)16-7-6-8-17(25)13-16/h6-13,25H,1-5H3
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50n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190369
PNG
(1-[3-(4-biphenyl)-5-N,N-dimethylamino-(1,2,4-triaz...)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-9-6-10-20(27)15-19)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15,27H,1-2H3
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130n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190360
PNG
(1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
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140n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190361
PNG
(1-[3-(3-biphenyl)-5-N,N-dimethylamino-(1,2,4-triaz...)
Show SMILES CN(C)c1nnc(-c2cccc(c2)-c2ccccc2)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-12-7-13-20(27)15-19)18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-15,27H,1-2H3
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150n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190367
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES CC(C)(C)c1cccc(c1)-c1nncn1-c1cccc(O)c1
Show InChI InChI=1S/C18H19N3O/c1-18(2,3)14-7-4-6-13(10-14)17-20-19-12-21(17)15-8-5-9-16(22)11-15/h4-12,22H,1-3H3
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230n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
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 and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190359
PNG
(1-[(3-naphthalen-2-yl)-5-N,N-dimethylamino-(1,2,4-...)
Show SMILES CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3
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480n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190367
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES CC(C)(C)c1cccc(c1)-c1nncn1-c1cccc(O)c1
Show InChI InChI=1S/C18H19N3O/c1-18(2,3)14-7-4-6-13(10-14)17-20-19-12-21(17)15-8-5-9-16(22)11-15/h4-12,22H,1-3H3
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850n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190371
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[2-(N,N-dimethylamin...)
Show SMILES CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)21-24-23-20(13-14-25(4)5)26(21)18-7-6-8-19(27)15-18/h6-12,15,27H,13-14H2,1-5H3
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900n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190360
PNG
(1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
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1.00E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190363
PNG
(1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...)
Show SMILES CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-9-6-8-14(12-15)18-21-22-19(23(4)5)24(18)16-10-7-11-17(25)13-16/h6-13,25H,1-5H3
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1.05E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190367
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES CC(C)(C)c1cccc(c1)-c1nncn1-c1cccc(O)c1
Show InChI InChI=1S/C18H19N3O/c1-18(2,3)14-7-4-6-13(10-14)17-20-19-12-21(17)15-8-5-9-16(22)11-15/h4-12,22H,1-3H3
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1.50E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190373
PNG
(1-[3-(4-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-8-4-7-18(13-19)23-14-21-22-20(23)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14,24H
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1.50E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190368
PNG
(1-[(3-naphthalen-2-yl)-(1,2,4-triazol-4-yl) ]-3-ph...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H13N3O/c22-17-7-3-6-16(11-17)21-12-19-20-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-12,22H
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2.10E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
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 and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190370
PNG
(1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-11-9-14(10-12-15)18-21-22-19(23(4)5)24(18)16-7-6-8-17(25)13-16/h6-13,25H,1-5H3
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4.00E+3n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190364
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES COc1cccc(c1)-n1cnnc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C19H21N3O/c1-19(2,3)15-10-8-14(9-11-15)18-21-20-13-22(18)16-6-5-7-17(12-16)23-4/h5-13H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190358
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES COc1cccc(c1)-n1cnnc1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C19H21N3O/c1-19(2,3)15-8-5-7-14(11-15)18-21-20-13-22(18)16-9-6-10-17(12-16)23-4/h5-13H,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190363
PNG
(1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...)
Show SMILES CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-9-6-8-14(12-15)18-21-22-19(23(4)5)24(18)16-10-7-11-17(25)13-16/h6-13,25H,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 and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50370751
PNG
(CHEMBL1162931)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1ccc(O)cc1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-8-6-14(7-9-15)18-21-22-19(23(4)5)24(18)16-10-12-17(25)13-11-16/h6-13,25H,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 and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190372
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[(4-N-methyl)piperaz...)
Show SMILES CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C23H29N5O/c1-23(2,3)18-10-8-17(9-11-18)21-24-25-22(27-14-12-26(4)13-15-27)28(21)19-6-5-7-20(29)16-19/h5-11,16,29H,12-15H2,1-4H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190365
PNG
(1-{3-[4-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nncn1-c1cccc(O)c1
Show InChI InChI=1S/C18H19N3O/c1-18(2,3)14-9-7-13(8-10-14)17-20-19-12-21(17)15-5-4-6-16(22)11-15/h4-12,22H,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190360
PNG
(1-[3-(3-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-11-5-10-18(13-19)23-14-21-22-20(23)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-14,24H
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190369
PNG
(1-[3-(4-biphenyl)-5-N,N-dimethylamino-(1,2,4-triaz...)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-9-6-10-20(27)15-19)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15,27H,1-2H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190369
PNG
(1-[3-(4-biphenyl)-5-N,N-dimethylamino-(1,2,4-triaz...)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-9-6-10-20(27)15-19)18-13-11-17(12-14-18)16-7-4-3-5-8-16/h3-15,27H,1-2H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190372
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[(4-N-methyl)piperaz...)
Show SMILES CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C23H29N5O/c1-23(2,3)18-10-8-17(9-11-18)21-24-25-22(27-14-12-26(4)13-15-27)28(21)19-6-5-7-20(29)16-19/h5-11,16,29H,12-15H2,1-4H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50370751
PNG
(CHEMBL1162931)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1ccc(O)cc1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-8-6-14(7-9-15)18-21-22-19(23(4)5)24(18)16-10-12-17(25)13-11-16/h6-13,25H,1-5H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190361
PNG
(1-[3-(3-biphenyl)-5-N,N-dimethylamino-(1,2,4-triaz...)
Show SMILES CN(C)c1nnc(-c2cccc(c2)-c2ccccc2)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-12-7-13-20(27)15-19)18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-15,27H,1-2H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190368
PNG
(1-[(3-naphthalen-2-yl)-(1,2,4-triazol-4-yl) ]-3-ph...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H13N3O/c22-17-7-3-6-16(11-17)21-12-19-20-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-12,22H
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190358
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES COc1cccc(c1)-n1cnnc1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C19H21N3O/c1-19(2,3)15-8-5-7-14(11-15)18-21-20-13-22(18)16-9-6-10-17(12-16)23-4/h5-13H,1-4H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190358
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES COc1cccc(c1)-n1cnnc1-c1cccc(c1)C(C)(C)C
Show InChI InChI=1S/C19H21N3O/c1-19(2,3)15-8-5-7-14(11-15)18-21-20-13-22(18)16-9-6-10-17(12-16)23-4/h5-13H,1-4H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190366
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1...)
Show SMILES COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-12-10-15(11-13-16)19-22-23-20(24(4)5)25(19)17-8-7-9-18(14-17)26-6/h7-14H,1-6H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190373
PNG
(1-[3-(4-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-8-4-7-18(13-19)23-14-21-22-20(23)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14,24H
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190372
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[(4-N-methyl)piperaz...)
Show SMILES CN1CCN(CC1)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C23H29N5O/c1-23(2,3)18-10-8-17(9-11-18)21-24-25-22(27-14-12-26(4)13-15-27)28(21)19-6-5-7-20(29)16-19/h5-11,16,29H,12-15H2,1-4H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190370
PNG
(1-{3-[4-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-11-9-14(10-12-15)18-21-22-19(23(4)5)24(18)16-7-6-8-17(25)13-16/h6-13,25H,1-5H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190368
PNG
(1-[(3-naphthalen-2-yl)-(1,2,4-triazol-4-yl) ]-3-ph...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H13N3O/c22-17-7-3-6-16(11-17)21-12-19-20-18(21)15-9-8-13-4-1-2-5-14(13)10-15/h1-12,22H
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190371
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[2-(N,N-dimethylamin...)
Show SMILES CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)21-24-23-20(13-14-25(4)5)26(21)18-7-6-8-19(27)15-18/h6-12,15,27H,13-14H2,1-5H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190366
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1...)
Show SMILES COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-12-10-15(11-13-16)19-22-23-20(24(4)5)25(19)17-8-7-9-18(14-17)26-6/h7-14H,1-6H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190365
PNG
(1-{3-[4-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nncn1-c1cccc(O)c1
Show InChI InChI=1S/C18H19N3O/c1-18(2,3)14-9-7-13(8-10-14)17-20-19-12-21(17)15-5-4-6-16(22)11-15/h4-12,22H,1-3H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190359
PNG
(1-[(3-naphthalen-2-yl)-5-N,N-dimethylamino-(1,2,4-...)
Show SMILES CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190359
PNG
(1-[(3-naphthalen-2-yl)-5-N,N-dimethylamino-(1,2,4-...)
Show SMILES CN(C)c1nnc(-c2ccc3ccccc3c2)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H18N4O/c1-23(2)20-22-21-19(24(20)17-8-5-9-18(25)13-17)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190366
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-N,N-dimethylamino-(1...)
Show SMILES COc1cccc(c1)-n1c(nnc1-c1ccc(cc1)C(C)(C)C)N(C)C
Show InChI InChI=1S/C21H26N4O/c1-21(2,3)16-12-10-15(11-13-16)19-22-23-20(24(4)5)25(19)17-8-7-9-18(14-17)26-6/h7-14H,1-6H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190371
PNG
(1-{3-[4-(tert-butyl)phenyl]-5-[2-(N,N-dimethylamin...)
Show SMILES CN(C)CCc1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)21-24-23-20(13-14-25(4)5)26(21)18-7-6-8-19(27)15-18/h6-12,15,27H,13-14H2,1-5H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50370751
PNG
(CHEMBL1162931)
Show SMILES CN(C)c1nnc(-c2ccc(cc2)C(C)(C)C)n1-c1ccc(O)cc1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-8-6-14(7-9-15)18-21-22-19(23(4)5)24(18)16-10-12-17(25)13-11-16/h6-13,25H,1-5H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190363
PNG
(1-{3-[3-(tert-butyl) phenyl]-5-N,N-dimethylamino-(...)
Show SMILES CN(C)c1nnc(-c2cccc(c2)C(C)(C)C)n1-c1cccc(O)c1
Show InChI InChI=1S/C20H24N4O/c1-20(2,3)15-9-6-8-14(12-15)18-21-22-19(23(4)5)24(18)16-10-7-11-17(25)13-16/h6-13,25H,1-5H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50190364
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES COc1cccc(c1)-n1cnnc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C19H21N3O/c1-19(2,3)15-10-8-14(9-11-15)18-21-20-13-22(18)16-6-5-7-17(12-16)23-4/h5-13H,1-4H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to delta opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
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 and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190365
PNG
(1-{3-[4-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nncn1-c1cccc(O)c1
Show InChI InChI=1S/C18H19N3O/c1-18(2,3)14-9-7-13(8-10-14)17-20-19-12-21(17)15-5-4-6-16(22)11-15/h4-12,22H,1-3H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50190361
PNG
(1-[3-(3-biphenyl)-5-N,N-dimethylamino-(1,2,4-triaz...)
Show SMILES CN(C)c1nnc(-c2cccc(c2)-c2ccccc2)n1-c1cccc(O)c1
Show InChI InChI=1S/C22H20N4O/c1-25(2)22-24-23-21(26(22)19-12-7-13-20(27)15-19)18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-15,27H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to kappa opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190373
PNG
(1-[3-(4-biphenyl)-(1,2,4-triazol-4-yl) ]-3-phenol ...)
Show SMILES Oc1cccc(c1)-n1cnnc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-19-8-4-7-18(13-19)23-14-21-22-20(23)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14,24H
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50190364
PNG
(1-{3-[3-(tert-butyl) phenyl]-(1,2,4-triazol-4-yl) ...)
Show SMILES COc1cccc(c1)-n1cnnc1-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C19H21N3O/c1-19(2,3)15-10-8-14(9-11-15)18-21-20-13-22(18)16-6-5-7-17(12-16)23-4/h5-13H,1-4H3
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University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute

Curated by ChEMBL


Assay Description
Inhibition of (-)-[9-3H]bremazocine binding to mu opioid receptor expressed in HEK293 cells


J Med Chem 49: 4044-7 (2006)


Article DOI: 10.1021/jm0601250
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%