BDBM50036842 3-tert-Butylamino-2-hydroxy-propionaldehyde O-propyl-oxime; compound with (E)-but-2-enedioic acid::CHEMBL39706

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

InChI Key: InChIKey=SMJOAFHPQBEWCA-XYOKQWHBSA-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 = 50036842   

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
ADRB2 (BOVINE)	BDBM50036842 (3-tert-Butylamino-2-hydroxy-propionaldehyde O-prop...) Show SMILES CCCO\N=C\C(O)CNC(C)(C)C Show InChI InChI=1S/C10H22N2O2/c1-5-6-14-12-8-9(13)7-11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	850	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 (Rattus norvegicus (Rat))	BDBM50036842 (3-tert-Butylamino-2-hydroxy-propionaldehyde O-prop...) Show SMILES CCCO\N=C\C(O)CNC(C)(C)C Show InChI InChI=1S/C10H22N2O2/c1-5-6-14-12-8-9(13)7-11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3/b12-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	850	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
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50036842 (3-tert-Butylamino-2-hydroxy-propionaldehyde O-prop...) Show SMILES CCCO\N=C\C(O)CNC(C)(C)C Show InChI InChI=1S/C10H22N2O2/c1-5-6-14-12-8-9(13)7-11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3/b12-8+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.32E+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-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)	BDBM50036842 (3-tert-Butylamino-2-hydroxy-propionaldehyde O-prop...) Show SMILES CCCO\N=C\C(O)CNC(C)(C)C Show InChI InChI=1S/C10H22N2O2/c1-5-6-14-12-8-9(13)7-11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3/b12-8+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	269	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