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:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50036838   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50036838 (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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Pisa Curated by ChEMBL					Assay Description Binding affinity against beta1-adrenergic receptor in rat brain				J Med Chem 37: 1518-25 (1994) BindingDB Entry DOI: 10.7270/Q2V69HM4
					More data for this Ligand-Target Pair
ADRB2 (BOVINE)	BDBM50036838 (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+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Pisa Curated by ChEMBL					Assay Description Binding afinity against beta2-adrenergic receptor in bovine lung				J Med Chem 37: 1518-25 (1994) BindingDB Entry DOI: 10.7270/Q2V69HM4
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50036838 (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 UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration against beta-1-adrenergic receptor in isolated guinea pig atria				J Med Chem 37: 1518-25 (1994) BindingDB Entry DOI: 10.7270/Q2V69HM4
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50036838 (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/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitá di Pisa Curated by ChEMBL					Assay Description Inhibitory concentration against beta-2-adrenergic receptor in isolated guinea pig tracheal strips				J Med Chem 37: 1518-25 (1994) BindingDB Entry DOI: 10.7270/Q2V69HM4
					More data for this Ligand-Target Pair