null

SMILES: CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1

InChI Key: InChIKey=VHYLEDFZPNVEME-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 103453   

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
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM103453 (US8552037, 107) Show SMILES CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1 Show InChI InChI=1S/C17H20N2O2/c1-10(20)18-9-8-12-3-2-11-6-7-14-16(15(11)12)21-17(19-14)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM103453 (US8552037, 107) Show SMILES CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1 Show InChI InChI=1S/C17H20N2O2/c1-10(20)18-9-8-12-3-2-11-6-7-14-16(15(11)12)21-17(19-14)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM103453 (US8552037, 107) Show SMILES CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1 Show InChI InChI=1S/C17H20N2O2/c1-10(20)18-9-8-12-3-2-11-6-7-14-16(15(11)12)21-17(19-14)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using melatonin receptors 1 or 2.				US Patent US8552037 (2013) BindingDB Entry DOI: 10.7270/Q2862F3N
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM103453 (US8552037, 107) Show SMILES CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1 Show InChI InChI=1S/C17H20N2O2/c1-10(20)18-9-8-12-3-2-11-6-7-14-16(15(11)12)21-17(19-14)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description Binding assay using melatonin receptors 1 or 2.				US Patent US8552037 (2013) BindingDB Entry DOI: 10.7270/Q2862F3N
					More data for this Ligand-Target Pair