BDBM50093268 CHEMBL130898::N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-phenalen-1-yl)-ethyl]-acetamide

SMILES: COc1ccc2ccc(OC)c3C(CCNC(C)=O)CCc1c23

InChI Key: InChIKey=IPPMXJDAIUMTQR-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 = 50093268   

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))	BDBM50093268 (CHEMBL130898 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...) Show SMILES COc1ccc2ccc(OC)c3C(CCNC(C)=O)CCc1c23 Show InChI InChI=1S/C19H23NO3/c1-12(21)20-11-10-14-4-7-15-16(22-2)8-5-13-6-9-17(23-3)19(14)18(13)15/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)				J Med Chem 43: 4051-62 (2000) BindingDB Entry DOI: 10.7270/Q20Z72JX
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50093268 (CHEMBL130898 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...) Show SMILES COc1ccc2ccc(OC)c3C(CCNC(C)=O)CCc1c23 Show InChI InChI=1S/C19H23NO3/c1-12(21)20-11-10-14-4-7-15-16(22-2)8-5-13-6-9-17(23-3)19(14)18(13)15/h5-6,8-9,14H,4,7,10-11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)				J Med Chem 43: 4051-62 (2000) BindingDB Entry DOI: 10.7270/Q20Z72JX
					More data for this Ligand-Target Pair