BDBM50188413 CHEMBL206790::N-(2-[5-methoxy-1H-indol-3-yl]-2,2-trimethyleneethyl)cyclopropanecarboxamide

SMILES: COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CC2)CCC1

InChI Key: InChIKey=VHIXTIIIAWEOIG-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 = 50188413   

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))	BDBM50188413 (CHEMBL206790 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...) Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CC2)CCC1 Show InChI InChI=1S/C18H22N2O2/c1-22-13-5-6-16-14(9-13)15(10-19-16)18(7-2-8-18)11-20-17(21)12-3-4-12/h5-6,9-10,12,19H,2-4,7-8,11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50188413 (CHEMBL206790 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...) Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CC2)CCC1 Show InChI InChI=1S/C18H22N2O2/c1-22-13-5-6-16-14(9-13)15(10-19-16)18(7-2-8-18)11-20-17(21)12-3-4-12/h5-6,9-10,12,19H,2-4,7-8,11H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells				J Med Chem 49: 3509-19 (2006) Article DOI: 10.1021/jm0512544 BindingDB Entry DOI: 10.7270/Q2JW8DJQ
					More data for this Ligand-Target Pair