BDBM50139848 CHEMBL3764063

SMILES: COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c2ccccc2cc2ccccc12

InChI Key: InChIKey=JGDWOMBMESZUJI-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 = 50139848   

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))	BDBM50139848 (CHEMBL3764063) Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c2ccccc2cc2ccccc12 |(-2.67,9.48,;-1.44,9.46,;-.7,8.11,;.84,8.08,;1.6,6.72,;.79,5.41,;1.24,3.94,;0,3.08,;-1.23,3.98,;-2.7,3.51,;-3.84,4.54,;-5.31,4.07,;-6.45,5.11,;-6.19,6.31,;-7.62,4.73,;-.74,5.43,;-1.5,6.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-22(11-12-23(28-25)30-2)31-26(21)24-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24/h3-12,15H,13-14H2,1-2H3,(H,27,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	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))	BDBM50139848 (CHEMBL3764063) Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1c2ccccc2cc2ccccc12 |(-2.67,9.48,;-1.44,9.46,;-.7,8.11,;.84,8.08,;1.6,6.72,;.79,5.41,;1.24,3.94,;0,3.08,;-1.23,3.98,;-2.7,3.51,;-3.84,4.54,;-5.31,4.07,;-6.45,5.11,;-6.19,6.31,;-7.62,4.73,;-.74,5.43,;-1.5,6.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)| Show InChI InChI=1S/C26H22N2O3/c1-16(29)27-14-13-21-25-22(11-12-23(28-25)30-2)31-26(21)24-19-9-5-3-7-17(19)15-18-8-4-6-10-20(18)24/h3-12,15H,13-14H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	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