Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50444181'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50444181 (CHEMBL3093417) Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 Show InChI InChI=1S/C31H34N4O2S/c36-31(33-30-32-29(24-38-30)27-14-8-3-9-15-27)35(19-18-34-20-22-37-23-21-34)17-16-28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,24,28H,16-23H2,(H,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human CaSR				Bioorg Med Chem Lett 23: 6625-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.050 BindingDB Entry DOI: 10.7270/Q2JD4Z7Z
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