BDBM50086026 CHEMBL9600::Cyclopropanecarboxylic acid [2-(2-ethoxy-6H-isoindolo[2,1-a]indol-11-yl)-ethyl]-amide

SMILES: CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1

InChI Key: InChIKey=WDGNSQUDIFRDFN-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 = 50086026   

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))	BDBM50086026 (CHEMBL9600 | Cyclopropanecarboxylic acid [2-(2-eth...) Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C23H24N2O2/c1-2-27-17-9-10-21-20(13-17)19(11-12-24-23(26)15-7-8-15)22-18-6-4-3-5-16(18)14-25(21)22/h3-6,9-10,13,15H,2,7-8,11-12,14H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.5	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 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))	BDBM50086026 (CHEMBL9600 | Cyclopropanecarboxylic acid [2-(2-eth...) Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C23H24N2O2/c1-2-27-17-9-10-21-20(13-17)19(11-12-24-23(26)15-7-8-15)22-18-6-4-3-5-16(18)14-25(21)22/h3-6,9-10,13,15H,2,7-8,11-12,14H2,1H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	234	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