BDBM50161381 CHEMBL361410::Cyclopropanecarboxylic acid {(1R,2R)-2-[(R)-2-(4-phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-cyclopropylmethyl}-amide

SMILES: O=C(NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1

InChI Key: InChIKey=KPFJHULHRUZNEM-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 = 50161381   

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))	BDBM50161381 (CHEMBL361410 | Cyclopropanecarboxylic acid {(1R,2R...) Show SMILES O=C(NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1 Show InChI InChI=1S/C26H31NO2/c28-26(19-13-14-19)27-17-20-15-23(20)22-11-6-12-25-24(22)16-21(29-25)10-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,11-12,19-21,23H,4-5,9-10,13-17H2,(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	1	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))	BDBM50161381 (CHEMBL361410 | Cyclopropanecarboxylic acid {(1R,2R...) Show SMILES O=C(NC[C@@H]1C[C@H]1c1cccc2O[C@H](CCCCc3ccccc3)Cc12)C1CC1 Show InChI InChI=1S/C26H31NO2/c28-26(19-13-14-19)27-17-20-15-23(20)22-11-6-12-25-24(22)16-21(29-25)10-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,11-12,19-21,23H,4-5,9-10,13-17H2,(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	5	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