BDBM50229178 CHEMBL161278

SMILES: [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)c1cccs1

InChI Key: InChIKey=MZVXQNJDRFQWDS-AHRSYUTCSA-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 = 50229178   

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))	BDBM50229178 (CHEMBL161278) Show SMILES [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C21H26N2O3S2/c1-26-17-6-7-18-15(12-17)8-10-22-14-16-4-2-9-23(19(16)13-20(18)22)28(24,25)21-5-3-11-27-21/h3,5-7,11-12,16,19-20H,2,4,8-10,13-14H2,1H3/t16-,19-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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))	BDBM50229178 (CHEMBL161278) Show SMILES [H][C@]12CCCN([C@]1([H])C[C@]1([H])N(CCc3cc(OC)ccc13)C2)S(=O)(=O)c1cccs1 Show InChI InChI=1S/C21H26N2O3S2/c1-26-17-6-7-18-15(12-17)8-10-22-14-16-4-2-9-23(19(16)13-20(18)22)28(24,25)21-5-3-11-27-21/h3,5-7,11-12,16,19-20H,2,4,8-10,13-14H2,1H3/t16-,19-,20+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.77E+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