Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1' and Ligand = 'BDBM50297393'   

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
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50297393 (CHEMBL561602 | Ethyl 2-Amino-6-(3',5'-dimethoxyphe...) Show SMILES CCOC(=O)CC1C(C(=O)OCC)C(=N)Oc2ccc(cc12)-c1cc(OC)cc(OC)c1 Show InChI InChI=1S/C24H27NO7/c1-5-30-21(26)13-19-18-11-14(15-9-16(28-3)12-17(10-15)29-4)7-8-20(18)32-23(25)22(19)24(27)31-6-2/h7-12,19,22,25H,5-6,13H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Chemistry and Technology Prague Curated by ChEMBL					Assay Description Inhibition of rabbit skeletal muscle microsomes SERCA1a				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
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