BDBM50117882 CHEMBL3612464

SMILES: CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1

InChI Key: InChIKey=VLPGTHUDTCBGRU-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 = 50117882   

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))	BDBM50117882 (CHEMBL3612464) Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	17	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))	BDBM50117882 (CHEMBL3612464) Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1 Show InChI InChI=1S/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	177	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