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BDBM52083 4-(1-HYDROXY-2-[(1-METHYLETHYL)AMINO]BUTYL)-1,2-BENZENEDIOL METHANESULFONATE SALT::4-[1-hydroxy-2-(isopropylamino)butyl]pyrocatechol;mesylic acid::4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;methanesulfonic acid::Isoetharine::MLS000069674::SMR000058457::cid_23702::methanesulfonic acid;4-[1-oxidanyl-2-(propan-2-ylamino)butyl]benzene-1,2-diol

SMILES: CCC(NC(C)C)C(O)c1ccc(O)c(O)c1

InChI Key: InChIKey=HUYWAWARQUIQLE-UHFFFAOYSA-N

Data: 1 IC50  1 Kd  2 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 4 hits for monomerid = 52083   
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
POsterior Segregation family member (pos-1)


(Caenorhabditis elegans)
BDBM52083
PNG
(4-(1-HYDROXY-2-[(1-METHYLETHYL)AMINO]BUTYL)-1,2-BE...)
Show SMILES CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
PDB

KEGG

UniProtKB/TrEMBL

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DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM52083
PNG
(4-(1-HYDROXY-2-[(1-METHYLETHYL)AMINO]BUTYL)-1,2-BE...)
Show SMILES CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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DrugBank
KEGG
PC cid
PC sid
UniChem

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DrugBank
PubMed
n/an/an/a 1.00E+3n/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM


Bioorg Med Chem Lett 23: 5376-81 (2013)


BindingDB Entry DOI: 10.7270/Q2F76GHV
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM52083
PNG
(4-(1-HYDROXY-2-[(1-METHYLETHYL)AMINO]BUTYL)-1,2-BE...)
Show SMILES CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
PDB

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antibodypedia
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DrugBank
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM52083
PNG
(4-(1-HYDROXY-2-[(1-METHYLETHYL)AMINO]BUTYL)-1,2-BE...)
Show SMILES CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H21NO3/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9/h5-8,10,13-17H,4H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.25E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair