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BDBM50017679 Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)-amine::CHEMBL753::Dibenzyline::PHENOXYBENZAMINE

SMILES: CC(COc1ccccc1)N(CCCl)Cc1ccccc1

InChI Key: InChIKey=QZVCTJOXCFMACW-UHFFFAOYSA-N

Data: 11 KI  11 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 22 hits for monomerid = 50017679   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 0.900n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Eur J Pharmacol 55: 323-6 (1979)


Article DOI: 10.1016/0014-2999(79)90202-4
BindingDB Entry DOI: 10.7270/Q2KD1WC3
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes

J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 3.5n/an/an/an/an/an/an/an/a



Neurogenetic Corporation

Curated by PDSP Ki Database




Mol Pharmacol 38: 681-8 (1990)


BindingDB Entry DOI: 10.7270/Q29C6VWG
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 4.20n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


Article DOI: 10.1016/0024-3205(76)90375-1
BindingDB Entry DOI: 10.7270/Q23B5XNK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 60n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 65n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Life Sci 19: 69-76 (1976)


Article DOI: 10.1016/0024-3205(76)90375-1
BindingDB Entry DOI: 10.7270/Q23B5XNK
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement.

J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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 140n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)


BindingDB Entry DOI: 10.7270/Q2ZK5F5P
More data for this
Ligand-Target Pair
DRD1


(BOVINE)		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
60 kDa chaperonin


(Escherichia coli)		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...

Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 1.29E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...

Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
HSP60/HSP10


(Homo sapiens)		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 7.80E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...

Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
Thiosulfate sulfurtransferase


(Homo sapiens)		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...

Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...

Hepatology 60: 1015-22 (2014)


Article DOI: 10.1002/hep.27206
BindingDB Entry DOI: 10.7270/Q2TF00N2
More data for this
Ligand-Target Pair
Adrenergic Alpha


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy

J Med Chem 51: 5932-42 (2008)


Article DOI: 10.1021/jm8003152
BindingDB Entry DOI: 10.7270/Q23779MD
More data for this
Ligand-Target Pair
Adrenergic Alpha


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair
Solute carrier family 22 member 3


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 6.13E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair
10 kDa chaperonin


(Escherichia coli)		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...

Bioorg Med Chem Lett 29: 1106-1112 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.028
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...

J Med Chem 28: 381-8 (1985)


BindingDB Entry DOI: 10.7270/Q2Z321T8
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens (Human))		BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells

Br J Pharmacol 136: 829-36 (2002)


Article DOI: 10.1038/sj.bjp.0704785
BindingDB Entry DOI: 10.7270/Q29Z9656
More data for this
Ligand-Target Pair