BDBM50343591 CHEMBL1774530::N-{2-[7-(4-tert-Butylphenyl)-1,6-dihydro-2H-indeno[5,4-b]-furan-8-yl]ethyl}acetamide

SMILES: CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=HGMZZYFYERWUDL-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 = 50343591   

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))	BDBM50343591 (CHEMBL1774530 | N-{2-[7-(4-tert-Butylphenyl)-1,6-d...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccc(cc1)C(C)(C)C |t:6| Show InChI InChI=1S/C25H29NO2/c1-16(27)26-13-11-20-22(17-5-8-19(9-6-17)25(2,3)4)15-18-7-10-23-21(24(18)20)12-14-28-23/h5-10H,11-15H2,1-4H3,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.770	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50343591 (CHEMBL1774530 | N-{2-[7-(4-tert-Butylphenyl)-1,6-d...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccc(cc1)C(C)(C)C |t:6| Show InChI InChI=1S/C25H29NO2/c1-16(27)26-13-11-20-22(17-5-8-19(9-6-17)25(2,3)4)15-18-7-10-23-21(24(18)20)12-14-28-23/h5-10H,11-15H2,1-4H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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 [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO cells by microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair