BDBM50086010 CHEMBL10328::N-[2-(6H-Isoindolo[2,1-a]indol-11-yl)-ethyl]-butyramide

SMILES: CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12

InChI Key: InChIKey=BQCYDDRANOAMHI-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 = 50086010   

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))	BDBM50086010 (CHEMBL10328 | N-[2-(6H-Isoindolo[2,1-a]indol-11-yl...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-2-7-20(24)22-13-12-18-17-10-5-6-11-19(17)23-14-15-8-3-4-9-16(15)21(18)23/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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))	BDBM50086010 (CHEMBL10328 | N-[2-(6H-Isoindolo[2,1-a]indol-11-yl...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-2-7-20(24)22-13-12-18-17-10-5-6-11-19(17)23-14-15-8-3-4-9-16(15)21(18)23/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	174	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