BDBM50086000 CHEMBL276005::N-[2-(11-Ethoxy-6,7-dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-propionamide

SMILES: CCOc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)CC)c2c1

InChI Key: InChIKey=WUBIXKRGXDVHCT-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 = 50086000   

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))	BDBM50086000 (CHEMBL276005 | N-[2-(11-Ethoxy-6,7-dihydro-5H-benz...) Show SMILES CCOc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)CC)c2c1 Show InChI InChI=1S/C24H28N2O2/c1-3-23(27)25-14-13-20-21-16-18(28-4-2)11-12-22(21)26-15-7-9-17-8-5-6-10-19(17)24(20)26/h5-6,8,10-12,16H,3-4,7,9,13-15H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21.9	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))	BDBM50086000 (CHEMBL276005 | N-[2-(11-Ethoxy-6,7-dihydro-5H-benz...) Show SMILES CCOc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)CC)c2c1 Show InChI InChI=1S/C24H28N2O2/c1-3-23(27)25-14-13-20-21-16-18(28-4-2)11-12-22(21)26-15-7-9-17-8-5-6-10-19(17)24(20)26/h5-6,8,10-12,16H,3-4,7,9,13-15H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	269	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