BDBM50086008 CHEMBL273897::N-[2-(5,6-Dihydro-indolo[2,1-a]isoquinolin-12-yl)-ethyl]-propionamide

SMILES: CCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12

InChI Key: InChIKey=KPTVGTVZFPGOHS-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 = 50086008   

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))	BDBM50086008 (CHEMBL273897 | N-[2-(5,6-Dihydro-indolo[2,1-a]isoq...) Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-2-20(24)22-13-11-18-17-9-5-6-10-19(17)23-14-12-15-7-3-4-8-16(15)21(18)23/h3-10H,2,11-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.33	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))	BDBM50086008 (CHEMBL273897 | N-[2-(5,6-Dihydro-indolo[2,1-a]isoq...) Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCn2c2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-2-20(24)22-13-11-18-17-9-5-6-10-19(17)23-14-12-15-7-3-4-8-16(15)21(18)23/h3-10H,2,11-14H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	148	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