BDBM50017382 13a-Methoxy-5,6,7,8,9,10,11,12,13,13a-decahydro-4bH-cycloundeca[a]inden-14-one O-(2-hydroxy-3-isopropylamino-propyl)-oxime::CHEMBL110891

SMILES: COC12CCCCCCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C

InChI Key: InChIKey=VEMUKSACYPYSKJ-PNHLSOANSA-N

Data: 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 2 hits for monomerid = 50017382   

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)	BDBM50017382 (13a-Methoxy-5,6,7,8,9,10,11,12,13,13a-decahydro-4b...) Show SMILES COC12CCCCCCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C Show InChI InChI=1S/C25H40N2O3/c1-19(2)26-17-20(28)18-30-27-24-22-14-11-10-13-21(22)23-15-9-7-5-4-6-8-12-16-25(23,24)29-3/h10-11,13-14,19-20,23,26,28H,4-9,12,15-18H2,1-3H3/b27-24-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nancy I Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig trachea(IT)				J Med Chem 32: 315-20 (1989) BindingDB Entry DOI: 10.7270/Q2RX9B26
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50017382 (13a-Methoxy-5,6,7,8,9,10,11,12,13,13a-decahydro-4b...) Show SMILES COC12CCCCCCCCCC1c1ccccc1\C2=N\OCC(O)CNC(C)C Show InChI InChI=1S/C25H40N2O3/c1-19(2)26-17-20(28)18-30-27-24-22-14-11-10-13-21(22)23-15-9-7-5-4-6-8-12-16-25(23,24)29-3/h10-11,13-14,19-20,23,26,28H,4-9,12,15-18H2,1-3H3/b27-24-	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Nancy I Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor blocking was assessed from 50% inhibition of the isoproterenol submaximal response on isolated Guinea pig atria(IA)				J Med Chem 32: 315-20 (1989) BindingDB Entry DOI: 10.7270/Q2RX9B26
					More data for this Ligand-Target Pair