BDBM50086025 CHEMBL10293::N-[2-(11-Methoxy-6,7-dihydro-5H-benzo[3,4]azepino[1,2-a]indol-13-yl)-ethyl]-propionamide

SMILES: CCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12

InChI Key: InChIKey=DZFOJFGHLBCJNN-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 = 50086025   

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))	BDBM50086025 (CHEMBL10293 | N-[2-(11-Methoxy-6,7-dihydro-5H-benz...) Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12 Show InChI InChI=1S/C23H26N2O2/c1-3-22(26)24-13-12-19-20-15-17(27-2)10-11-21(20)25-14-6-8-16-7-4-5-9-18(16)23(19)25/h4-5,7,9-11,15H,3,6,8,12-14H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41	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))	BDBM50086025 (CHEMBL10293 | N-[2-(11-Methoxy-6,7-dihydro-5H-benz...) Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12 Show InChI InChI=1S/C23H26N2O2/c1-3-22(26)24-13-12-19-20-15-17(27-2)10-11-21(20)25-14-6-8-16-7-4-5-9-18(16)23(19)25/h4-5,7,9-11,15H,3,6,8,12-14H2,1-2H3,(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 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