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BDBM50036843 Acetaldehyde O-(2-hydroxy-3-isopropylamino-propyl)-oxime; compound with (E)-but-2-enedioic acid::CHEMBL290153

SMILES: C\C=N\OCC(O)CNC(C)C

InChI Key: InChIKey=XPAWJQUCISBPJW-ONNFQVAWSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50036843   
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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50036843
PNG
(Acetaldehyde O-(2-hydroxy-3-isopropylamino-propyl)...)
Show SMILES C\C=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C8H18N2O2/c1-4-10-12-6-8(11)5-9-7(2)3/h4,7-9,11H,5-6H2,1-3H3/b10-4+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.48E+3n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against beta1-adrenergic receptor in rat brain


Citation and Details
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50036843
PNG
(Acetaldehyde O-(2-hydroxy-3-isopropylamino-propyl)...)
Show SMILES C\C=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C8H18N2O2/c1-4-10-12-6-8(11)5-9-7(2)3/h4,7-9,11H,5-6H2,1-3H3/b10-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.20E+3n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding afinity against beta2-adrenergic receptor in bovine lung


Citation and Details
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50036843
PNG
(Acetaldehyde O-(2-hydroxy-3-isopropylamino-propyl)...)
Show SMILES C\C=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C8H18N2O2/c1-4-10-12-6-8(11)5-9-7(2)3/h4,7-9,11H,5-6H2,1-3H3/b10-4+
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.02E+4n/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-1-adrenergic receptor in isolated guinea pig atria


Citation and Details
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50036843
PNG
(Acetaldehyde O-(2-hydroxy-3-isopropylamino-propyl)...)
Show SMILES C\C=N\OCC(O)CNC(C)C
Show InChI InChI=1S/C8H18N2O2/c1-4-10-12-6-8(11)5-9-7(2)3/h4,7-9,11H,5-6H2,1-3H3/b10-4+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-2-adrenergic receptor in isolated guinea pig tracheal strips


Citation and Details
More data for this
Ligand-Target Pair