Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 1/2A' and Ligand = 'BDBM50164478'   

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
Glutamate receptor ionotropic, NMDA 1/2A (Homo sapiens (Human))	BDBM50164478 (CHEMBL3798041) Show SMILES CCCN(Cc1cc(=O)n2c(C(=O)NCC)c(C)sc2n1)c1ccc(F)cc1 Show InChI InChI=1S/C20H23FN4O2S/c1-4-10-24(16-8-6-14(21)7-9-16)12-15-11-17(26)25-18(19(27)22-5-2)13(3)28-20(25)23-15/h6-9,11H,4-5,10,12H2,1-3H3,(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	132	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co. Ltd. Curated by ChEMBL					Assay Description Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...				J Med Chem 59: 2760-79 (2016) Article DOI: 10.1021/acs.jmedchem.5b02010 BindingDB Entry DOI: 10.7270/Q2N87CQW
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