BDBM50093263 CHEMBL133416::Cyclopropanecarboxylic acid (4,9-dimethoxy-2,3-dihydro-1H-phenalen-1-ylmethyl)-amide

SMILES: COc1ccc2ccc(OC)c3C(CNC(=O)C4CC4)CCc1c23

InChI Key: InChIKey=NTXHSNIVFDPUEA-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 = 50093263   

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))	BDBM50093263 (CHEMBL133416 | Cyclopropanecarboxylic acid (4,9-di...) Show SMILES COc1ccc2ccc(OC)c3C(CNC(=O)C4CC4)CCc1c23 Show InChI InChI=1S/C20H23NO3/c1-23-16-9-6-12-7-10-17(24-2)19-14(5-8-15(16)18(12)19)11-21-20(22)13-3-4-13/h6-7,9-10,13-14H,3-5,8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0260	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))	BDBM50093263 (CHEMBL133416 | Cyclopropanecarboxylic acid (4,9-di...) Show SMILES COc1ccc2ccc(OC)c3C(CNC(=O)C4CC4)CCc1c23 Show InChI InChI=1S/C20H23NO3/c1-23-16-9-6-12-7-10-17(24-2)19-14(5-8-15(16)18(12)19)11-21-20(22)13-3-4-13/h6-7,9-10,13-14H,3-5,8,11H2,1-2H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	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