BDBM50139846 CHEMBL3764879

SMILES: COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cccc2ccccc12

InChI Key: InChIKey=VSSABVWRNALCDM-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 = 50139846   

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))	BDBM50139846 (CHEMBL3764879) Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cccc2ccccc12 Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-13-12-18-21-19(10-11-20(24-21)26-2)27-22(18)17-9-5-7-15-6-3-4-8-16(15)17/h3-11H,12-13H2,1-2H3,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay				Eur J Med Chem 109: 268-75 (2016) BindingDB Entry DOI: 10.7270/Q2NC6318
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50139846 (CHEMBL3764879) Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1cccc2ccccc12 Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-13-12-18-21-19(10-11-20(24-21)26-2)27-22(18)17-9-5-7-15-6-3-4-8-16(15)17/h3-11H,12-13H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay				Eur J Med Chem 109: 268-75 (2016) BindingDB Entry DOI: 10.7270/Q2NC6318
					More data for this Ligand-Target Pair