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BDBM50107088 CHEMBL314433::[3-((3R,5R)-3,5-Dimethyl-piperazin-1-yl)-propyl]-diphenyl-amine::[3-(3,5-Dimethyl-piperazin-1-yl)-propyl]-diphenyl-amine

SMILES: C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1

InChI Key: InChIKey=UDPONPQEXNUGCI-RTBURBONSA-N

Data: 7 KI

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 7 hits for monomerid = 50107088   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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antibodypedia
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PubMed
138n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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813n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse - Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine transporter by displacing [3H]WIN-35428 from rat caudate putamen


Bioorg Med Chem Lett 11: 3169-73 (2001)


BindingDB Entry DOI: 10.7270/Q2CC117R
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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813n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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6.81E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse - Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at norepinephrine transporter using [3H]nisoxetine as radioligand from rat brain


Bioorg Med Chem Lett 11: 3169-73 (2001)


BindingDB Entry DOI: 10.7270/Q2CC117R
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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6.81E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from rat brain norepinephrine transporter


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
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7.09E+4n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse - Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity at Serotonin transporter using [3H]citalopram as radioligand from rat brain


Bioorg Med Chem Lett 11: 3169-73 (2001)


BindingDB Entry DOI: 10.7270/Q2CC117R
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50107088
PNG
(CHEMBL314433 | [3-((3R,5R)-3,5-Dimethyl-piperazin-...)
Show SMILES C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1
Show InChI InChI=1S/C21H29N3/c1-18-16-23(17-19(2)22-18)14-9-15-24(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,18-19,22H,9,14-17H2,1-2H3/t18-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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PubMed
7.09E+4n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against serotonin transporter by displacement of [3H]citalopram in rat brain


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair