Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuronal calcium sensor 1' and Ligand = 'BDBM50008396'   

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
Neuronal calcium sensor 1 (Homo sapiens)	BDBM50008396 (CHEMBL3235533) Show SMILES O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1 Show InChI InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a
Biological Research Center Curated by ChEMBL					Assay Description Binding affinity to human NCS1 expressed in Escherichia coli BL21 Star (DE3) by fluorescence emission assay				J Med Chem 61: 5910-5921 (2018) Article DOI: 10.1021/acs.jmedchem.8b00088 BindingDB Entry DOI: 10.7270/Q2WS8WSQ
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