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BDBM81264 5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide::5-(2-azanylethyl)benzene-1,2,4-triol;hydrobromide::6-Hydroxydopamine hydrobromide::CHEMBL337702::MLS002207128::SMR001306725::cid_176170

SMILES: NCCc1cc(O)c(O)cc1O

InChI Key: InChIKey=DIVDFFZHCJEHGG-UHFFFAOYSA-N

Data: 2 KI  3 IC50

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 = 81264   
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
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PubMed
12n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of dopamine transporter


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
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PubMed
51n/an/an/an/an/an/an/an/a



University of Oklahoma

Curated by ChEMBL


Assay Description
Evaluated for the Competitive inhibition of uptake of norepinephrine


J Med Chem 38: 4087-97 (1995)


BindingDB Entry DOI: 10.7270/Q2930S73
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
PDB
MMDB

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PCBioAssay
n/an/a 1.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Glyceraldehyde-3-phosphate dehydrogenase liver


(Homo sapiens (Human))
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
PDB
MMDB

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Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Inhibition of GAPDH


Nat Chem Biol 3: 55-9 (2007)


Article DOI: 10.1038/nchembio833
BindingDB Entry DOI: 10.7270/Q29W0FPQ
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM81264
PNG
(5-(2-aminoethyl)benzene-1,2,4-triol;hydrobromide |...)
Show SMILES NCCc1cc(O)c(O)cc1O
Show InChI InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
PDB
MMDB

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PCBioAssay
n/an/a 1.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair