Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM205521'   

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))	BDBM205521 (US9253997, 83) Show SMILES CC(=O)Nc1cc(cc(NC(=O)NC[C@H](N)C(O)=O)c1O)S(O)(=O)=O |r| Show InChI InChI=1S/C12H16N4O8S/c1-5(17)15-8-2-6(25(22,23)24)3-9(10(8)18)16-12(21)14-4-7(13)11(19)20/h2-3,7,18H,4,13H2,1H3,(H,15,17)(H,19,20)(H2,14,16,21)(H,22,23,24)/t7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2.11E+4	n/a	n/a	7.2	37
AJINOMOTO CO., INC. US Patent					Assay Description 293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, ...				US Patent US9253997 (2016) BindingDB Entry DOI: 10.7270/Q2ZG6R2D
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