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BDBM50036838 Acetaldehyde O-(3-tert-butylamino-2-hydroxy-propyl)-oxime; compound with (E)-but-2-enedioic acid::CHEMBL39873

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

InChI Key: InChIKey=SPGPSXZIZLOIOC-VZUCSPMQSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50036838   
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))
BDBM50036838
PNG
(Acetaldehyde O-(3-tert-butylamino-2-hydroxy-propyl...)
Show SMILES C\C=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-11-13-7-8(12)6-10-9(2,3)4/h5,8,10,12H,6-7H2,1-4H3/b11-5+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
760n/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)
BDBM50036838
PNG
(Acetaldehyde O-(3-tert-butylamino-2-hydroxy-propyl...)
Show SMILES C\C=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-11-13-7-8(12)6-10-9(2,3)4/h5,8,10,12H,6-7H2,1-4H3/b11-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.98E+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)
BDBM50036838
PNG
(Acetaldehyde O-(3-tert-butylamino-2-hydroxy-propyl...)
Show SMILES C\C=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-11-13-7-8(12)6-10-9(2,3)4/h5,8,10,12H,6-7H2,1-4H3/b11-5+
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.35E+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)
BDBM50036838
PNG
(Acetaldehyde O-(3-tert-butylamino-2-hydroxy-propyl...)
Show SMILES C\C=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-11-13-7-8(12)6-10-9(2,3)4/h5,8,10,12H,6-7H2,1-4H3/b11-5+
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.07E+3n/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