BDBM50086034 CHEMBL273624::N-[2-(2-Chloro-6H-isoindolo[2,1-a]indol-11-yl)-ethyl]-acetamide

SMILES: CC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(Cl)cc12

InChI Key: InChIKey=HYTINUZZRXFLRJ-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 = 50086034   

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))	BDBM50086034 (CHEMBL273624 | N-[2-(2-Chloro-6H-isoindolo[2,1-a]i...) Show SMILES CC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(Cl)cc12 Show InChI InChI=1S/C19H17ClN2O/c1-12(23)21-9-8-16-17-10-14(20)6-7-18(17)22-11-13-4-2-3-5-15(13)19(16)22/h2-7,10H,8-9,11H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33.9	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))	BDBM50086034 (CHEMBL273624 | N-[2-(2-Chloro-6H-isoindolo[2,1-a]i...) Show SMILES CC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(Cl)cc12 Show InChI InChI=1S/C19H17ClN2O/c1-12(23)21-9-8-16-17-10-14(20)6-7-18(17)22-11-13-4-2-3-5-15(13)19(16)22/h2-7,10H,8-9,11H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	282	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