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5 similar compounds to monomer 55121

Compile data set for download or QSAR
Wt: 168.2
BDBM36020
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Wt: 167.2
BDBM81489
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Wt: 137.1
BDBM50020502
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Wt: 154.1
BDBM50049797
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Wt: 169.1
BDBM50234649
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 36020,81489,50020502,50049797,50234649   
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
DRD1


(BOVINE)
BDBM81489
PNG
(CAS_62-32-8 | Epinine | NSC_4382)
Show SMILES CNCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3
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23n/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
DRD2


(BOVINE)
BDBM81489
PNG
(CAS_62-32-8 | Epinine | NSC_4382)
Show SMILES CNCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-5-4-7-2-3-8(11)9(12)6-7/h2-3,6,10-12H,4-5H2,1H3
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530n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020502
PNG
(2-(3-Hydroxy-phenyl)-ethyl-ammonium | 2-(3-hydroxy...)
Show SMILES NCCc1cccc(O)c1
Show InChI InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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PubMed
2.00E+4n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D2


J Med Chem 41: 4385-99 (1998)


Article DOI: 10.1021/jm9800292
BindingDB Entry DOI: 10.7270/Q2R21227
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50020502
PNG
(2-(3-Hydroxy-phenyl)-ethyl-ammonium | 2-(3-hydroxy...)
Show SMILES NCCc1cccc(O)c1
Show InChI InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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4.80E+4n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D1


J Med Chem 41: 4385-99 (1998)


Article DOI: 10.1021/jm9800292
BindingDB Entry DOI: 10.7270/Q2R21227
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020502
PNG
(2-(3-Hydroxy-phenyl)-ethyl-ammonium | 2-(3-hydroxy...)
Show SMILES NCCc1cccc(O)c1
Show InChI InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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1.25E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
The compound was tested for In vitro inhibitory activity against Phenylethanolamine N-Methyltransferase (PNMT)


J Med Chem 32: 478-86 (1989)


Article DOI: 10.1021/jm00122a032
BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50020502
PNG
(2-(3-Hydroxy-phenyl)-ethyl-ammonium | 2-(3-hydroxy...)
Show SMILES NCCc1cccc(O)c1
Show InChI InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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n/an/an/an/a 1.74E+3n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA16 CHO-K1 cells coexpressed with Galpha16 protein assessed as internal...


Bioorg Med Chem 16: 7415-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.009
BindingDB Entry DOI: 10.7270/Q2DR2V92
More data for this
Ligand-Target Pair
Autoinducer 2-binding periplasmic protein luxP


(Vibrio harveyi)
BDBM50234649
PNG
(5-(2-aminoethyl)benzene-1,2,3-triol hydrochloride ...)
Show SMILES NCCc1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,1-2,9H2
PDB
MMDB

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B.MOAD
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n/an/a 2.20E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Antagonist activity at LuxP receptor in Vibrio harveyi MM32 assessed as inhibition of autoinducer2-mediated quorum sensing after 3 to 4 hrs


Bioorg Med Chem Lett 18: 1567-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.081
BindingDB Entry DOI: 10.7270/Q2DB81KV
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 36020,81489,50020502,50049797,50234649
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM36020
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
CHEBI
PC cid
PC sid
-0.9791.42-2.390.7206.9024.9



NIST





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

BDBM11
JPEG
BDBM50049797
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-2.051.89-3.951.516.9024.9



NIST





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

BDBM11
JPEG
BDBM50049797
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-2.022.34-4.371.48524.9



NIST





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

BDBM11
JPEG
BDBM36020
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.560.762-3.201.786.9024.9



NIST





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

BDBM11
JPEG
BDBM36020
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.341.32-3.651.71524.9



NIST





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