BDBM50161376 CHEMBL361854::N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-cyclopropylmethyl}-isobutyramide

SMILES: CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12

InChI Key: InChIKey=AUIXCKPTMHYMPU-QZNHQXDQSA-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 = 50161376   

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))	BDBM50161376 (CHEMBL361854 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C26H33NO2/c1-18(2)26(28)27-17-20-15-23(20)22-13-8-14-25-24(22)16-21(29-25)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,18,20-21,23H,6-7,11-12,15-17H2,1-2H3,(H,27,28)/t20-,21+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1A stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50161376 (CHEMBL361854 | N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl...) Show SMILES CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12 Show InChI InChI=1S/C26H33NO2/c1-18(2)26(28)27-17-20-15-23(20)22-13-8-14-25-24(22)16-21(29-25)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,18,20-21,23H,6-7,11-12,15-17H2,1-2H3,(H,27,28)/t20-,21+,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against Melatonin receptor type 1B stably expressed in NIH3T3 cells using 2-[125I]-iodomelatonin				Bioorg Med Chem Lett 15: 1345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.015 BindingDB Entry DOI: 10.7270/Q2KS6R1N
					More data for this Ligand-Target Pair