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SMILES: COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12

InChI Key: InChIKey=ITCUCWQVCFTWPK-KRWDZBQOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 235779   

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
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM235779 (US9359372, DC037032) Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12 |r| Show InChI InChI=1S/C21H23NO4/c1-23-18-3-4-19(24-2)16-12-22-6-5-13-9-20-21(26-8-7-25-20)11-14(13)17(22)10-15(16)18/h3-4,9,11,17H,5-8,10,12H2,1-2H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	25.3	-10.5	49.2	n/a	n/a	n/a	n/a	n/a	30
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...				US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM235779 (US9359372, DC037032) Show SMILES COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12 |r| Show InChI InChI=1S/C21H23NO4/c1-23-18-3-4-19(24-2)16-12-22-6-5-13-9-20-21(26-8-7-25-20)11-14(13)17(22)10-15(16)18/h3-4,9,11,17H,5-8,10,12H2,1-2H3/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40.6	-10.2	51.5	n/a	n/a	n/a	n/a	n/a	30
SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES US Patent					Assay Description Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as recepto...				US Patent US9359372 (2016) BindingDB Entry DOI: 10.7270/Q2736PSP
					More data for this Ligand-Target Pair