BDBM50086022 CHEMBL275529::N-[2-(11-Methoxy-6,7-dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-acetamide

SMILES: COc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1

InChI Key: InChIKey=YUAFEPINEYDDKA-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 = 50086022   

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))	BDBM50086022 (CHEMBL275529 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...) Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24N2O2/c1-15(25)23-12-11-19-20-14-17(26-2)9-10-21(20)24-13-5-7-16-6-3-4-8-18(16)22(19)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.31	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))	BDBM50086022 (CHEMBL275529 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...) Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24N2O2/c1-15(25)23-12-11-19-20-14-17(26-2)9-10-21(20)24-13-5-7-16-6-3-4-8-18(16)22(19)24/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	275	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