BDBM50086014 CHEMBL10007::N-[2-(11-Ethoxy-6,7-dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-butyramide

SMILES: CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OCC)cc12

InChI Key: InChIKey=LVVTVHRBOLZRJU-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 = 50086014   

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))	BDBM50086014 (CHEMBL10007 | N-[2-(11-Ethoxy-6,7-dihydro-5H-benzo...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OCC)cc12 Show InChI InChI=1S/C25H30N2O2/c1-3-8-24(28)26-15-14-21-22-17-19(29-4-2)12-13-23(22)27-16-7-10-18-9-5-6-11-20(18)25(21)27/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...				J Med Chem 43: 1050-61 (2000) BindingDB Entry DOI: 10.7270/Q2VQ33DC
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50086014 (CHEMBL10007 | N-[2-(11-Ethoxy-6,7-dihydro-5H-benzo...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OCC)cc12 Show InChI InChI=1S/C25H30N2O2/c1-3-8-24(28)26-15-14-21-22-17-19(29-4-2)12-13-23(22)27-16-7-10-18-9-5-6-11-20(18)25(21)27/h5-6,9,11-13,17H,3-4,7-8,10,14-16H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	257	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...				J Med Chem 43: 1050-61 (2000) BindingDB Entry DOI: 10.7270/Q2VQ33DC
					More data for this Ligand-Target Pair