BDBM50086027 CHEMBL273623::N-[2-(6,7-Dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-acetamide

SMILES: CC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12

InChI Key: InChIKey=SQWIKCSPBXUBNY-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 = 50086027   

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))	BDBM50086027 (CHEMBL273623 | N-[2-(6,7-Dihydro-5H-benzo[3,4]azep...) Show SMILES CC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-15(24)22-13-12-19-18-10-4-5-11-20(18)23-14-6-8-16-7-2-3-9-17(16)21(19)23/h2-5,7,9-11H,6,8,12-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	224	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))	BDBM50086027 (CHEMBL273623 | N-[2-(6,7-Dihydro-5H-benzo[3,4]azep...) Show SMILES CC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-15(24)22-13-12-19-18-10-4-5-11-20(18)23-14-6-8-16-7-2-3-9-17(16)21(19)23/h2-5,7,9-11H,6,8,12-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	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