BDBM50027441 CHEMBL3329381

SMILES: Oc1ccc2CC3CCCNC3c2c1

InChI Key: InChIKey=IYBRRNJPOMRINZ-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 = 50027441   

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 (Homo sapiens (Human))	BDBM50027441 (CHEMBL3329381) Show SMILES Oc1ccc2CC3CCCNC3c2c1 Show InChI InChI=1S/C12H15NO/c14-10-4-3-8-6-9-2-1-5-13-12(9)11(8)7-10/h3-4,7,9,12-14H,1-2,5-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting				Eur J Med Chem 86: 700-9 (2014) Article DOI: 10.1016/j.ejmech.2014.09.038 BindingDB Entry DOI: 10.7270/Q2Z60QNK
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50027441 (CHEMBL3329381) Show SMILES Oc1ccc2CC3CCCNC3c2c1 Show InChI InChI=1S/C12H15NO/c14-10-4-3-8-6-9-2-1-5-13-12(9)11(8)7-10/h3-4,7,9,12-14H,1-2,5-6H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting				Eur J Med Chem 86: 700-9 (2014) Article DOI: 10.1016/j.ejmech.2014.09.038 BindingDB Entry DOI: 10.7270/Q2Z60QNK
					More data for this Ligand-Target Pair