BDBM50086018 CHEMBL9791::Cyclopropanecarboxylic acid [2-(6,7-dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-amide

SMILES: O=C(NCCc1c2-c3ccccc3CCCn2c2ccccc12)C1CC1

InChI Key: InChIKey=RAODIKBVAJWZCA-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 = 50086018   

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))	BDBM50086018 (CHEMBL9791 | Cyclopropanecarboxylic acid [2-(6,7-d...) Show SMILES O=C(NCCc1c2-c3ccccc3CCCn2c2ccccc12)C1CC1 Show InChI InChI=1S/C23H24N2O/c26-23(17-11-12-17)24-14-13-20-19-9-3-4-10-21(19)25-15-5-7-16-6-1-2-8-18(16)22(20)25/h1-4,6,8-10,17H,5,7,11-15H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52.5	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))	BDBM50086018 (CHEMBL9791 | Cyclopropanecarboxylic acid [2-(6,7-d...) Show SMILES O=C(NCCc1c2-c3ccccc3CCCn2c2ccccc12)C1CC1 Show InChI InChI=1S/C23H24N2O/c26-23(17-11-12-17)24-14-13-20-19-9-3-4-10-21(19)25-15-5-7-16-6-1-2-8-18(16)22(20)25/h1-4,6,8-10,17H,5,7,11-15H2,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	117	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