BDBM50086007 CHEMBL9917::Cyclobutanecarboxylic acid [2-(11-methoxy-6,7-dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-amide

SMILES: COc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)C3CCC3)c2c1

InChI Key: InChIKey=IEQGPSPMEXPVGQ-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 = 50086007   

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))	BDBM50086007 (CHEMBL9917 | Cyclobutanecarboxylic acid [2-(11-met...) Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)C3CCC3)c2c1 Show InChI InChI=1S/C25H28N2O2/c1-29-19-11-12-23-22(16-19)21(13-14-26-25(28)18-7-4-8-18)24-20-10-3-2-6-17(20)9-5-15-27(23)24/h2-3,6,10-12,16,18H,4-5,7-9,13-15H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31.6	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))	BDBM50086007 (CHEMBL9917 | Cyclobutanecarboxylic acid [2-(11-met...) Show SMILES COc1ccc2n3CCCc4ccccc4-c3c(CCNC(=O)C3CCC3)c2c1 Show InChI InChI=1S/C25H28N2O2/c1-29-19-11-12-23-22(16-19)21(13-14-26-25(28)18-7-4-8-18)24-20-10-3-2-6-17(20)9-5-15-27(23)24/h2-3,6,10-12,16,18H,4-5,7-9,13-15H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	759	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