BDBM50464409 CHEMBL4283539

SMILES: CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12

InChI Key: InChIKey=VJTRREVTRHLLRD-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50464409   

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))	BDBM50464409 (CHEMBL4283539) Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12 Show InChI InChI=1S/C16H19N3O2/c1-17-16(20)18-9-12-6-4-10-3-5-11-7-8-13(21-2)19-15(11)14(10)12/h3,5,7-8,12H,4,6,9H2,1-2H3,(H2,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille 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				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50464409 (CHEMBL4283539) Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12 Show InChI InChI=1S/C16H19N3O2/c1-17-16(20)18-9-12-6-4-10-3-5-11-7-8-13(21-2)19-15(11)14(10)12/h3,5,7-8,12H,4,6,9H2,1-2H3,(H2,17,18,20)	PDB 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
Univ. Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50464409 (CHEMBL4283539) Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12 Show InChI InChI=1S/C16H19N3O2/c1-17-16(20)18-9-12-6-4-10-3-5-11-7-8-13(21-2)19-15(11)14(10)12/h3,5,7-8,12H,4,6,9H2,1-2H3,(H2,17,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5-HT2C receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting method				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50464409 (CHEMBL4283539) Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12 Show InChI InChI=1S/C16H19N3O2/c1-17-16(20)18-9-12-6-4-10-3-5-11-7-8-13(21-2)19-15(11)14(10)12/h3,5,7-8,12H,4,6,9H2,1-2H3,(H2,17,18,20)	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	0.200	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay				Eur J Med Chem 141: 552-566 (2017) Article DOI: 10.1016/j.ejmech.2017.10.025 BindingDB Entry DOI: 10.7270/Q2CC13BX
					More data for this Ligand-Target Pair