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4 similar compounds to monomer 23981

Compile data set for download or QSAR
Wt: 175.2
BDBM82567
Wt: 175.2
BDBM82568
Wt: 147.2
BDBM50405614
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Wt: 147.2
BDBM50405616
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 82567,82568,50405614,50405616   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM82567
PNG
(ADTN DIMETHYL 6,7)
Show SMILES Cc1ccc2CCC(N)Cc2c1C
Show InChI InChI=1S/C12H17N/c1-8-3-4-10-5-6-11(13)7-12(10)9(8)2/h3-4,11H,5-7,13H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Neuroscience Research Centre

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 417-26 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.003
BindingDB Entry DOI: 10.7270/Q2C827SR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM82568
PNG
(ADTN DIMETHYL 5,6)
Show SMILES Cc1cc2CCC(N)Cc2cc1C
Show InChI InChI=1S/C12H17N/c1-8-5-10-3-4-12(13)7-11(10)6-9(8)2/h5-6,12H,3-4,7,13H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
17n/an/an/an/an/an/an/an/a



Neuroscience Research Centre

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 417-26 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.003
BindingDB Entry DOI: 10.7270/Q2C827SR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82567
PNG
(ADTN DIMETHYL 6,7)
Show SMILES Cc1ccc2CCC(N)Cc2c1C
Show InChI InChI=1S/C12H17N/c1-8-3-4-10-5-6-11(13)7-12(10)9(8)2/h3-4,11H,5-7,13H2,1-2H3
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
20n/an/an/an/an/an/an/an/a



Neuroscience Research Centre

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 417-26 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.003
BindingDB Entry DOI: 10.7270/Q2C827SR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82568
PNG
(ADTN DIMETHYL 5,6)
Show SMILES Cc1cc2CCC(N)Cc2cc1C
Show InChI InChI=1S/C12H17N/c1-8-5-10-3-4-12(13)7-11(10)6-9(8)2/h5-6,12H,3-4,7,13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC sid
UniChem

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Article
PubMed
30n/an/an/an/an/an/an/an/a



Neuroscience Research Centre

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 417-26 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.003
BindingDB Entry DOI: 10.7270/Q2C827SR
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50405614
PNG
(CHEMBL1178569)
Show SMILES N[C@H]1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2/t10-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 31: 1984-6 (1988)


Article DOI: 10.1021/jm00118a021
BindingDB Entry DOI: 10.7270/Q2QF8TFD
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50405616
PNG
(CHEMBL2114376)
Show SMILES N[C@@H]1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2/t10-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 31: 1984-6 (1988)


Article DOI: 10.1021/jm00118a021
BindingDB Entry DOI: 10.7270/Q2QF8TFD
More data for this
Ligand-Target Pair