BDBM50263727 CHEMBL4064626

SMILES: CCN1CC(CNC(C)=O)Cc2ccccc12

InChI Key: InChIKey=TVPLTLRWEPHDMW-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50263727   

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))	BDBM50263727 (CHEMBL4064626) Show SMILES CCN1CC(CNC(C)=O)Cc2ccccc12 Show InChI InChI=1S/C14H20N2O/c1-3-16-10-12(9-15-11(2)17)8-13-6-4-5-7-14(13)16/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]-Iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding method				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50263727 (CHEMBL4064626) Show SMILES CCN1CC(CNC(C)=O)Cc2ccccc12 Show InChI InChI=1S/C14H20N2O/c1-3-16-10-12(9-15-11(2)17)8-13-6-4-5-7-14(13)16/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50263727 (CHEMBL4064626) Show SMILES CCN1CC(CNC(C)=O)Cc2ccccc12 Show InChI InChI=1S/C14H20N2O/c1-3-16-10-12(9-15-11(2)17)8-13-6-4-5-7-14(13)16/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50263727 (CHEMBL4064626) Show SMILES CCN1CC(CNC(C)=O)Cc2ccccc12 Show InChI InChI=1S/C14H20N2O/c1-3-16-10-12(9-15-11(2)17)8-13-6-4-5-7-14(13)16/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Intrinsic activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				J Med Chem 61: 3726-3737 (2018) Article DOI: 10.1021/acs.jmedchem.8b00359 BindingDB Entry DOI: 10.7270/Q2GM89RS
					More data for this Ligand-Target Pair