BDBM50086024 CHEMBL9815::N-[2-(6,7-Dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-butyramide

SMILES: CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12

InChI Key: InChIKey=GOOKZDQLEREWES-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 = 50086024   

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))	BDBM50086024 (CHEMBL9815 | N-[2-(6,7-Dihydro-5H-benzo[3,4]azepin...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12 Show InChI InChI=1S/C23H26N2O/c1-2-8-22(26)24-15-14-20-19-12-5-6-13-21(19)25-16-7-10-17-9-3-4-11-18(17)23(20)25/h3-6,9,11-13H,2,7-8,10,14-16H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63.1	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))	BDBM50086024 (CHEMBL9815 | N-[2-(6,7-Dihydro-5H-benzo[3,4]azepin...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccccc12 Show InChI InChI=1S/C23H26N2O/c1-2-8-22(26)24-15-14-20-19-12-5-6-13-21(19)25-16-7-10-17-9-3-4-11-18(17)23(20)25/h3-6,9,11-13H,2,7-8,10,14-16H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79.4	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