BDBM50229072 CHEMBL162841

SMILES: [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(C)(=O)=O

InChI Key: InChIKey=VMXHRWVVRCYCLY-PVAVHDDUSA-N

Data: 2 KI

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 = 50229072   

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
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50229072 (CHEMBL162841) Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(C)(=O)=O Show InChI InChI=1S/C17H24N2O2S/c1-22(20,21)19-9-4-6-14-12-18-10-8-13-5-2-3-7-15(13)17(18)11-16(14)19/h2-3,5,7,14,16-17H,4,6,8-12H2,1H3/t14-,16+,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane				J Med Chem 34: 705-17 (1991) BindingDB Entry DOI: 10.7270/Q2MW2KBF
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50229072 (CHEMBL162841) Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(C)(=O)=O Show InChI InChI=1S/C17H24N2O2S/c1-22(20,21)19-9-4-6-14-12-18-10-8-13-5-2-3-7-15(13)17(18)11-16(14)19/h2-3,5,7,14,16-17H,4,6,8-12H2,1H3/t14-,16+,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Binding affinity to alpha-1 adrenergic receptor determined by measurement of [3H]prazosin displacement from rat cortical membrane				J Med Chem 34: 705-17 (1991) BindingDB Entry DOI: 10.7270/Q2MW2KBF
					More data for this Ligand-Target Pair