BDBM50097065 CHEMBL3580914

SMILES: COc1ccc2[nH]cc(CCc3nc(C)no3)c2c1

InChI Key: InChIKey=PDRDTJNNGYRHOQ-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 = 50097065   

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))	BDBM50097065 (CHEMBL3580914) Show SMILES COc1ccc2[nH]cc(CCc3nc(C)no3)c2c1 Show InChI InChI=1S/C14H15N3O2/c1-9-16-14(19-17-9)6-3-10-8-15-13-5-4-11(18-2)7-12(10)13/h4-5,7-8,15H,3,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins				J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50097065 (CHEMBL3580914) Show SMILES COc1ccc2[nH]cc(CCc3nc(C)no3)c2c1 Show InChI InChI=1S/C14H15N3O2/c1-9-16-14(19-17-9)6-3-10-8-15-13-5-4-11(18-2)7-12(10)13/h4-5,7-8,15H,3,6H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins				J Med Chem 58: 4998-5014 (2015) Article DOI: 10.1021/acs.jmedchem.5b00245 BindingDB Entry DOI: 10.7270/Q2JM2CDG
					More data for this Ligand-Target Pair