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BDBM66978 (E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)-2-propen-1-amine;hydrate;hydrochloride::(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-yl-prop-2-en-1-amine;hydrate;hydrochloride::(E)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine;hydrate;hydrochloride::MLS002154197::SMR001233484::Zimelidine (E-isomer)::Zimelidine (Z-isomer)::Zimelidine dihydrochloride monohydrate::[(E)-3-(4-bromophenyl)-3-(3-pyridyl)allyl]-dimethyl-amine;hydrate;hydrochloride::cid_24871308

SMILES: CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1

InChI Key: InChIKey=OYPPVKRFBIWMSX-CXUHLZMHSA-N

Data: 2 KI  2 IC50  1 EC50

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 5 hits for monomerid = 66978   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM66978
PNG
((E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)...)
Show SMILES CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
Show InChI InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
77.8n/an/an/an/an/an/an/an/a



Veterans Administration Medical Center

Curated by PDSP Ki Database




Brain Res 454: 78-88 (1988)


Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM66978
PNG
((E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)...)
Show SMILES CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
Show InChI InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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Article
PubMed
2.28E+3n/an/an/an/an/an/an/an/a



Veterans Administration Medical Center

Curated by PDSP Ki Database




Brain Res 454: 78-88 (1988)


Article DOI: 10.1016/0006-8993(88)90805-0
BindingDB Entry DOI: 10.7270/Q28914C5
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM66978
PNG
((E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)...)
Show SMILES CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
Show InChI InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of accumulation of [14C]-5-HT (5-HT) in mouse brain slices


J Med Chem 24: 1499-507 (1982)


Article DOI: 10.1021/jm00144a025
BindingDB Entry DOI: 10.7270/Q2BG2N05
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM66978
PNG
((E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)...)
Show SMILES CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
Show InChI InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+
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UniChem

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Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of accumulation of (-)-[3H]-Norepinephrine (NA) in mouse brain slices


J Med Chem 24: 1499-507 (1982)


Article DOI: 10.1021/jm00144a025
BindingDB Entry DOI: 10.7270/Q2BG2N05
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66978
PNG
((E)-3-(4-bromophenyl)-N,N-dimethyl-3-(3-pyridinyl)...)
Show SMILES CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
Show InChI InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+
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UniChem

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PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair