BindingDB logo
myBDB logout

BDBM50304075 3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol::CHEMBL595449

SMILES: CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1

InChI Key: InChIKey=ILPANLYEJQKXKY-UHFFFAOYSA-N

Data: 36 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50304075   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor and 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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Serotonin (5-HT) 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
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 1A (5-HT1A)


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Serotonin receptor (2b and 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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
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 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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Serotonin (5-HT) 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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 6 (5-HT6)


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
5-Hydroxytryptamine receptor 7 (5-HT7)


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 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
Adrenergic alpha1B


(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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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-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
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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 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
Dopamine D5 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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 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
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
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 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
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
Monoamine transporters; serotonin & dopamine


(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
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 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
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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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 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
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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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