BDBM50475062 CHEMBL364806

SMILES: CCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc12

InChI Key: InChIKey=DWVGJIJFGSESQJ-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 = 50475062   

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))	BDBM50475062 (CHEMBL364806) Show SMILES CCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc12 |c:15| Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-12-13-22-18-7-5-4-6-15(18)8-9-16-10-11-17(24-2)14-19(16)22/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity for human recombinant Melatonin receptor type 2 expressed in NIH3T3 cells				J Med Chem 47: 4202-12 (2004) Article DOI: 10.1021/jm040768k BindingDB Entry DOI: 10.7270/Q24170V2
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50475062 (CHEMBL364806) Show SMILES CCC(=O)NCCN1c2ccccc2C=Cc2ccc(OC)cc12 |c:15| Show InChI InChI=1S/C20H22N2O2/c1-3-20(23)21-12-13-22-18-7-5-4-6-15(18)8-9-16-10-11-17(24-2)14-19(16)22/h4-11,14H,3,12-13H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity for human recombinant Melatonin receptor type 1 expressed in NIH3T3 cells				J Med Chem 47: 4202-12 (2004) Article DOI: 10.1021/jm040768k BindingDB Entry DOI: 10.7270/Q24170V2
					More data for this Ligand-Target Pair