BDBM50086033 CHEMBL9772::N-[2-(2-Methoxy-6H-isoindolo[2,1-a]indol-11-yl)-ethyl]-acetamide

SMILES: COc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1

InChI Key: InChIKey=SNPPPSAUVCVWEJ-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 = 50086033   

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))	BDBM50086033 (CHEMBL9772 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]in...) Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H20N2O2/c1-13(23)21-10-9-17-18-11-15(24-2)7-8-19(18)22-12-14-5-3-4-6-16(14)20(17)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	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))	BDBM50086033 (CHEMBL9772 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]in...) Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H20N2O2/c1-13(23)21-10-9-17-18-11-15(24-2)7-8-19(18)22-12-14-5-3-4-6-16(14)20(17)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.82	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