BDBM50086015 CHEMBL9605::N-[2-(5,6-Dihydro-indolo[2,1-a]isoquinolin-12-yl)-ethyl]-butyramide

SMILES: CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12

InChI Key: InChIKey=SIJMNWHGPOVPLN-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 = 50086015   

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))	BDBM50086015 (CHEMBL9605 | N-[2-(5,6-Dihydro-indolo[2,1-a]isoqui...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12 Show InChI InChI=1S/C22H24N2O/c1-2-7-21(25)23-14-12-19-18-10-5-6-11-20(18)24-15-13-16-8-3-4-9-17(16)22(19)24/h3-6,8-11H,2,7,12-15H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70	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))	BDBM50086015 (CHEMBL9605 | N-[2-(5,6-Dihydro-indolo[2,1-a]isoqui...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12 Show InChI InChI=1S/C22H24N2O/c1-2-7-21(25)23-14-12-19-18-10-5-6-11-20(18)24-15-13-16-8-3-4-9-17(16)22(19)24/h3-6,8-11H,2,7,12-15H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70.8	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