BDBM50086028 CHEMBL9630::N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]indol-11-yl)-ethyl]-propionamide

SMILES: CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)CC)c2c1

InChI Key: InChIKey=WEZWICCILFMSRN-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 = 50086028   

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))	BDBM50086028 (CHEMBL9630 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...) Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)CC)c2c1 Show InChI InChI=1S/C22H24N2O2/c1-3-21(25)23-12-11-18-19-13-16(26-4-2)9-10-20(19)24-14-15-7-5-6-8-17(15)22(18)24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.260	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))	BDBM50086028 (CHEMBL9630 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...) Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)CC)c2c1 Show InChI InChI=1S/C22H24N2O2/c1-3-21(25)23-12-11-18-19-13-16(26-4-2)9-10-20(19)24-14-15-7-5-6-8-17(15)22(18)24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14.5	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