BDBM50473399 CHEMBL318871

SMILES: COc1cccc2n(c(CCNC(=O)C3CC3)cc12)-c1ccccc1

InChI Key: InChIKey=YNPLPFCIKOEQCH-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 = 50473399   

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))	BDBM50473399 (CHEMBL318871) Show SMILES COc1cccc2n(c(CCNC(=O)C3CC3)cc12)-c1ccccc1 Show InChI InChI=1S/C21H22N2O2/c1-25-20-9-5-8-19-18(20)14-17(12-13-22-21(24)15-10-11-15)23(19)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1B stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50473399 (CHEMBL318871) Show SMILES COc1cccc2n(c(CCNC(=O)C3CC3)cc12)-c1ccccc1 Show InChI InChI=1S/C21H22N2O2/c1-25-20-9-5-8-19-18(20)14-17(12-13-22-21(24)15-10-11-15)23(19)16-6-3-2-4-7-16/h2-9,14-15H,10-13H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Urbino Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor type 1A stably expressed in NIH3T3 rat fibroblast cells using 2-[125I]iodomelatonin (100 pM) as radioliga...				J Med Chem 44: 2900-12 (2001) Article DOI: 10.1021/jm001125h BindingDB Entry DOI: 10.7270/Q2QC067J
					More data for this Ligand-Target Pair