BDBM50229171 CHEMBL411954

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

InChI Key: InChIKey=NEHJXQPQNFMIKM-HOJAQTOUSA-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 = 50229171   

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))	BDBM50229171 (CHEMBL411954) Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCCC Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	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))	BDBM50229171 (CHEMBL411954) Show SMILES [H][C@]12CCCN([C@@]1([H])C[C@]1([H])N(CCc3ccccc13)C2)S(=O)(=O)CCCC Show InChI InChI=1S/C20H30N2O2S/c1-2-3-13-25(23,24)22-11-6-8-17-15-21-12-10-16-7-4-5-9-18(16)20(21)14-19(17)22/h4-5,7,9,17,19-20H,2-3,6,8,10-15H2,1H3/t17-,19+,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.29E+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