BDBM50045587 CHEMBL3309942

SMILES: [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])N(CCC2)C(=O)NCC

InChI Key: InChIKey=FGPNNXXGXLBTGA-BMIGLBTASA-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 = 50045587   

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))	BDBM50045587 (CHEMBL3309942) Show SMILES [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])N(CCC2)C(=O)NCC |r| Show InChI InChI=1S/C16H21ClN2O2/c1-3-18-16(20)19-6-4-5-10-7-11-8-13(17)14(21-2)9-12(11)15(10)19/h8-10,15H,3-7H2,1-2H3,(H,18,20)/t10-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	190	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
Melatonin receptor (Homo sapiens (Human))	BDBM50045587 (CHEMBL3309942) Show SMILES [H][C@@]12Cc3cc(Cl)c(OC)cc3[C@@]1([H])N(CCC2)C(=O)NCC |r| Show InChI InChI=1S/C16H21ClN2O2/c1-3-18-16(20)19-6-4-5-10-7-11-8-13(17)14(21-2)9-12(11)15(10)19/h8-10,15H,3-7H2,1-2H3,(H,18,20)/t10-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	670	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