BDBM50266431 CHEMBL457138::N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-indol-1yl)methyl)]-1H-indol-3-yl}ethyl)butanamide

SMILES: CCCC(=O)NCCc1c(CN2C(C)Cc3ccccc23)[nH]c2ccc(OC)cc12

InChI Key: InChIKey=UXKNFYADPUMFHR-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 = 50266431   

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))	BDBM50266431 (CHEMBL457138 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES CCCC(=O)NCCc1c(CN2C(C)Cc3ccccc23)[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C25H31N3O2/c1-4-7-25(29)26-13-12-20-21-15-19(30-3)10-11-22(21)27-23(20)16-28-17(2)14-18-8-5-6-9-24(18)28/h5-6,8-11,15,17,27H,4,7,12-14,16H2,1-3H3,(H,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50266431 (CHEMBL457138 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES CCCC(=O)NCCc1c(CN2C(C)Cc3ccccc23)[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C25H31N3O2/c1-4-7-25(29)26-13-12-20-21-15-19(30-3)10-11-22(21)27-23(20)16-28-17(2)14-18-8-5-6-9-24(18)28/h5-6,8-11,15,17,27H,4,7,12-14,16H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair