BDBM50464419 CHEMBL4277185

SMILES: COc1ccc2ccc3CCC(CCNC(C)=O)c3c2n1

InChI Key: InChIKey=YEHQYUUTSGBBFW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50464419   

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))	BDBM50464419 (CHEMBL4277185) Show SMILES COc1ccc2ccc3CCC(CCNC(C)=O)c3c2n1 Show InChI InChI=1S/C17H20N2O2/c1-11(20)18-10-9-13-4-3-12-5-6-14-7-8-15(21-2)19-17(14)16(12)13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	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))	BDBM50464419 (CHEMBL4277185) Show SMILES COc1ccc2ccc3CCC(CCNC(C)=O)c3c2n1 Show InChI InChI=1S/C17H20N2O2/c1-11(20)18-10-9-13-4-3-12-5-6-14-7-8-15(21-2)19-17(14)16(12)13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	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))	BDBM50464419 (CHEMBL4277185) Show SMILES COc1ccc2ccc3CCC(CCNC(C)=O)c3c2n1 Show InChI InChI=1S/C17H20N2O2/c1-11(20)18-10-9-13-4-3-12-5-6-14-7-8-15(21-2)19-17(14)16(12)13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	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