BDBM322085 US10183913, Example 162

SMILES: CNCc1cc(OCc2ccccc2C#N)n(CC2CCCC2)n1

InChI Key: InChIKey=KURKWUBVEUFLER-UHFFFAOYSA-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 = 322085   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322085 (US10183913, Example 162) Show SMILES CNCc1cc(OCc2ccccc2C#N)n(CC2CCCC2)n1 Show InChI InChI=1S/C19H24N4O/c1-21-12-18-10-19(23(22-18)13-15-6-2-3-7-15)24-14-17-9-5-4-8-16(17)11-20/h4-5,8-10,15,21H,2-3,6-7,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322085 (US10183913, Example 162) Show SMILES CNCc1cc(OCc2ccccc2C#N)n(CC2CCCC2)n1 Show InChI InChI=1S/C19H24N4O/c1-21-12-18-10-19(23(22-18)13-15-6-2-3-7-15)24-14-17-9-5-4-8-16(17)11-20/h4-5,8-10,15,21H,2-3,6-7,12-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair