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BDBM36014 (1R,2S)-(-)-ephedrine::Ephedrine,(+)::Ephedrine,(+/-)::Ephedrine,(-)::Pseudoephedrine,(+/-)

SMILES: C[NH2+][C@@H](C)[C@H](O)c1ccccc1

InChI Key: InChIKey=KWGRBVOPPLSCSI-WPRPVWTQSA-O

Data: 6 KI  4 ITC

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 6 hits for monomerid = 36014   
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
Norepinephrine transporter


(RAT)
BDBM36014
PNG
((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1
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Article
PubMed
225n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)

More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM36014
PNG
((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1
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Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM36014
PNG
((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM36014
PNG
((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1
PDB
MMDB

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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM36014
PNG
((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1
PDB
MMDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM36014
PNG
((1R,2S)-(-)-ephedrine | Ephedrine,(+) | Ephedrine,...)
Show SMILES C[NH2+][C@@H](C)[C@H](O)c1ccccc1
Show InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m0/s1
PDB
MMDB

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 36014
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM36014
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.59-0.263-2.321.906.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36014
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.42-0.192-2.221.77524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM4
JPEG
BDBM36014
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-1.682.06-3.731.236.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM4
JPEG
BDBM36014
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-1.461.42-2.871.08524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)