BDBM50117880 CHEMBL3612462

SMILES: CCNC(=O)NCC1CCc2ccccc2N1C

InChI Key: InChIKey=GROVGDFLIKUQFO-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50117880   

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))	BDBM50117880 (CHEMBL3612462) Show SMILES CCNC(=O)NCC1CCc2ccccc2N1C Show InChI InChI=1S/C14H21N3O/c1-3-15-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17(12)2/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins				J Med Chem 58: 7512-25 (2015) BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50117880 (CHEMBL3612462) Show SMILES CCNC(=O)NCC1CCc2ccccc2N1C Show InChI InChI=1S/C14H21N3O/c1-3-15-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17(12)2/h4-7,12H,3,8-10H2,1-2H3,(H2,15,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino"Carlo Bo" Curated by ChEMBL					Assay Description Intrinsic activity at human MT1 receptor transfected in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				J Med Chem 58: 7512-25 (2015) BindingDB Entry DOI: 10.7270/Q20R9R6D
					More data for this Ligand-Target Pair