BDBM50347592 CHEMBL1802030

SMILES: CCC(=O)NCCc1c(nn2ccc3OCCc3c12)C(F)(F)F

InChI Key: InChIKey=KMROLSWGHJXKLU-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 = 50347592   

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))	BDBM50347592 (CHEMBL1802030) Show SMILES CCC(=O)NCCc1c(nn2ccc3OCCc3c12)C(F)(F)F Show InChI InChI=1S/C15H16F3N3O2/c1-2-12(22)19-6-3-10-13-9-5-8-23-11(9)4-7-21(13)20-14(10)15(16,17)18/h4,7H,2-3,5-6,8H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50347592 (CHEMBL1802030) Show SMILES CCC(=O)NCCc1c(nn2ccc3OCCc3c12)C(F)(F)F Show InChI InChI=1S/C15H16F3N3O2/c1-2-12(22)19-6-3-10-13-9-5-8-23-11(9)4-7-21(13)20-14(10)15(16,17)18/h4,7H,2-3,5-6,8H2,1H3,(H,19,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair