BDBM50086032 CHEMBL274317::N-[2-(2-Methoxy-6H-isoindolo[2,1-a]indol-11-yl)-ethyl]-propionamide

SMILES: CCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12

InChI Key: InChIKey=NPFXRLZZJCWNFC-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 = 50086032   

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))	BDBM50086032 (CHEMBL274317 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]...) Show SMILES CCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12 Show InChI InChI=1S/C21H22N2O2/c1-3-20(24)22-11-10-17-18-12-15(25-2)8-9-19(18)23-13-14-6-4-5-7-16(14)21(17)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.170	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))	BDBM50086032 (CHEMBL274317 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]...) Show SMILES CCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12 Show InChI InChI=1S/C21H22N2O2/c1-3-20(24)22-11-10-17-18-12-15(25-2)8-9-19(18)23-13-14-6-4-5-7-16(14)21(17)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.37	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