BDBM50405012 CHEMBL24644

SMILES: CC(C)(C)NCC(O)CO\N=C(\CC(=O)C(C)(C)C)C1CC1

InChI Key: InChIKey=AXLGFLQIRQDHMV-RGEXLXHISA-N

Data: 2 Kd

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 2 hits for monomerid = 50405012   

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-2 adrenergic receptor (GUINEA PIG)	BDBM50405012 (CHEMBL24644) Show SMILES CC(C)(C)NCC(O)CO\N=C(\CC(=O)C(C)(C)C)C1CC1 Show InChI InChI=1S/C17H32N2O3/c1-16(2,3)15(21)9-14(12-7-8-12)19-22-11-13(20)10-18-17(4,5)6/h12-13,18,20H,7-11H2,1-6H3/b19-14-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	8.91	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor blocking activity in trachea of guinea pig.				J Med Chem 27: 1291-4 (1984) BindingDB Entry DOI: 10.7270/Q23779W0
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50405012 (CHEMBL24644) Show SMILES CC(C)(C)NCC(O)CO\N=C(\CC(=O)C(C)(C)C)C1CC1 Show InChI InChI=1S/C17H32N2O3/c1-16(2,3)15(21)9-14(12-7-8-12)19-22-11-13(20)10-18-17(4,5)6/h12-13,18,20H,7-11H2,1-6H3/b19-14-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor blocking activity in atria of guinea pig.				J Med Chem 27: 1291-4 (1984) BindingDB Entry DOI: 10.7270/Q23779W0
					More data for this Ligand-Target Pair