BDBM50416712 CHEMBL1223347

SMILES: C[C@@H](CSc1ccccc1)NC(C)=O

InChI Key: InChIKey=DCKGVDQXKBHNLI-VIFPVBQESA-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 = 50416712   

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))	BDBM50416712 (CHEMBL1223347) Show SMILES C[C@@H](CSc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C11H15NOS/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50416712 (CHEMBL1223347) Show SMILES C[C@@H](CSc1ccccc1)NC(C)=O |r| Show InChI InChI=1S/C11H15NOS/c1-9(12-10(2)13)8-14-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair