BDBM50456845 CHEMBL4209590

SMILES: CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl

InChI Key: InChIKey=UUUZVUUYCUVGRF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50456845   

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
Alpha adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50456845 (CHEMBL4209590) Show SMILES CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C18H21ClFNO3S/c1-25(22,23)18-7-3-2-5-14(18)6-4-10-21-11-12-24-17-13-15(20)8-9-16(17)19/h2-3,5,7-9,13,21H,4,6,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1D-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50456845 (CHEMBL4209590) Show SMILES CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C18H21ClFNO3S/c1-25(22,23)18-7-3-2-5-14(18)6-4-10-21-11-12-24-17-13-15(20)8-9-16(17)19/h2-3,5,7-9,13,21H,4,6,10-12H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1B-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50456845 (CHEMBL4209590) Show SMILES CS(=O)(=O)c1ccccc1CCCNCCOc1cc(F)ccc1Cl Show InChI InChI=1S/C18H21ClFNO3S/c1-25(22,23)18-7-3-2-5-14(18)6-4-10-21-11-12-24-17-13-15(20)8-9-16(17)19/h2-3,5,7-9,13,21H,4,6,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 7-methoxy-[3H]-prazosin from human alpha1A-adrenoreceptor expressed in CHOK1 cell membranes after 60 mins by TopCount liquid scintill...				Eur J Med Chem 139: 114-127 (2017) Article DOI: 10.1016/j.ejmech.2017.07.071 BindingDB Entry DOI: 10.7270/Q2765HZH
					More data for this Ligand-Target Pair