BDBM50086011 CHEMBL10110::Cyclopropanecarboxylic acid [2-(2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)-ethyl]-amide

SMILES: COc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1

InChI Key: InChIKey=RSXSZGMKXCZSIW-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 = 50086011   

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))	BDBM50086011 (CHEMBL10110 | Cyclopropanecarboxylic acid [2-(2-me...) Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C22H22N2O2/c1-26-16-8-9-20-19(12-16)18(10-11-23-22(25)14-6-7-14)21-17-5-3-2-4-15(17)13-24(20)21/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.950	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))	BDBM50086011 (CHEMBL10110 | Cyclopropanecarboxylic acid [2-(2-me...) Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C22H22N2O2/c1-26-16-8-9-20-19(12-16)18(10-11-23-22(25)14-6-7-14)21-17-5-3-2-4-15(17)13-24(20)21/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	46.8	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