BDBM168616 US9079852, Table F, Compound 1

SMILES: O[C@H](COc1ccc(O)cc1)CN1CCN(CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=BQYPFLYRFTYVGP-SFHVURJKSA-N

Data: 1 KI  1 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 = 168616   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM168616 (US9079852, Table F, Compound 1) Show SMILES O[C@H](COc1ccc(O)cc1)CN1CCN(CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H23ClN2O3/c20-15-1-3-16(4-2-15)22-11-9-21(10-12-22)13-18(24)14-25-19-7-5-17(23)6-8-19/h1-8,18,23-24H,9-14H2/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University; NeurOp, Inc. US Patent					Assay Description Compounds were evaluated for binding to the human ether-a-go-go potassium channel (hERG) expressed in HEK293 cells by displacement of 3[H]-astemizole...				US Patent US9079852 (2015) BindingDB Entry DOI: 10.7270/Q2K35SF5
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM168616 (US9079852, Table F, Compound 1) Show SMILES O[C@H](COc1ccc(O)cc1)CN1CCN(CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H23ClN2O3/c20-15-1-3-16(4-2-15)22-11-9-21(10-12-22)13-18(24)14-25-19-7-5-17(23)6-8-19/h1-8,18,23-24H,9-14H2/t18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Emory University; NeurOp, Inc. US Patent					Assay Description Binding to the rat alpha-1 adrenergic receptor in rat brain membranes was determined by displacement of 3[H]-prazosin (P. Greengrass and R. Bremner; ...				US Patent US9079852 (2015) BindingDB Entry DOI: 10.7270/Q2K35SF5
					More data for this Ligand-Target Pair