BDBM50086019 CHEMBL9765::N-[2-(6H-Isoindolo[2,1-a]indol-11-yl)-ethyl]-acetamide

SMILES: CC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12

InChI Key: InChIKey=LMEAPMOUSUWWKF-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 = 50086019   

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))	BDBM50086019 (CHEMBL9765 | N-[2-(6H-Isoindolo[2,1-a]indol-11-yl)...) Show SMILES CC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C19H18N2O/c1-13(22)20-11-10-17-16-8-4-5-9-18(16)21-12-14-6-2-3-7-15(14)19(17)21/h2-9H,10-12H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	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))	BDBM50086019 (CHEMBL9765 | N-[2-(6H-Isoindolo[2,1-a]indol-11-yl)...) Show SMILES CC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C19H18N2O/c1-13(22)20-11-10-17-16-8-4-5-9-18(16)21-12-14-6-2-3-7-15(14)19(17)21/h2-9H,10-12H2,1H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	195	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