BDBM50045590 CHEMBL3310256

SMILES: [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)Nc1ccccc1)CCC2

InChI Key: InChIKey=MPGOCIONUJWYAH-SZNDQCEHSA-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 = 50045590   

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 type 1A/1B (Homo sapiens (Human))	BDBM50045590 (CHEMBL3310256) Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)Nc1ccccc1)CCC2 |r| Show InChI InChI=1S/C21H22N2O3/c24-20(22-16-6-2-1-3-7-16)12-23-8-4-5-14-9-15-10-18-19(26-13-25-18)11-17(15)21(14)23/h1-3,6-7,10-11,14,21H,4-5,8-9,12-13H2,(H,22,24)/t14-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 24: 3534-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.053 BindingDB Entry DOI: 10.7270/Q28G8NB9
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50045590 (CHEMBL3310256) Show SMILES [H][C@@]12Cc3cc4OCOc4cc3[C@@]1([H])N(CC(=O)Nc1ccccc1)CCC2 |r| Show InChI InChI=1S/C21H22N2O3/c24-20(22-16-6-2-1-3-7-16)12-23-8-4-5-14-9-15-10-18-19(26-13-25-18)11-17(15)21(14)23/h1-3,6-7,10-11,14,21H,4-5,8-9,12-13H2,(H,22,24)/t14-,21+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Valencia Curated by ChEMBL					Assay Description Displacement of [125L]iodomelatonin from human MT2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 24: 3534-6 (2014) Article DOI: 10.1016/j.bmcl.2014.05.053 BindingDB Entry DOI: 10.7270/Q28G8NB9
					More data for this Ligand-Target Pair