BDBM50230964 CHEMBL4097693

SMILES: COc1cnc2cccc(CCNC(=O)CF)c2c1

InChI Key: InChIKey=APMXHCAHOBFQKX-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 = 50230964   

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))	BDBM50230964 (CHEMBL4097693) Show SMILES COc1cnc2cccc(CCNC(=O)CF)c2c1 Show InChI InChI=1S/C14H15FN2O2/c1-19-11-7-12-10(5-6-16-14(18)8-15)3-2-4-13(12)17-9-11/h2-4,7,9H,5-6,8H2,1H3,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50230964 (CHEMBL4097693) Show SMILES COc1cnc2cccc(CCNC(=O)CF)c2c1 Show InChI InChI=1S/C14H15FN2O2/c1-19-11-7-12-10(5-6-16-14(18)8-15)3-2-4-13(12)17-9-11/h2-4,7,9H,5-6,8H2,1H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair