Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1' and Ligand = 'BDBM50242014'   

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 (Rattus norvegicus)	BDBM50242014 (CHEMBL464006 | Morusin | Morusin, 3 | TCMDC-124149...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10| Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in rat INS-1E cells assessed as reduction in cell viability incubated for 24 hrs by MTT assay				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50242014 (CHEMBL464006 | Morusin | Morusin, 3 | TCMDC-124149...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10| Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Centre of Experimental Medicine SAS Curated by ChEMBL					Assay Description Inhibition of SERCA1 in NewZealand rabbit skeletal muscle SR vesicles using ATP as substrate incubated for 2 mins followed by Ca2+ addition by NADH c...				ACS Med Chem Lett 11: 1006-1013 (2020) Article DOI: 10.1021/acsmedchemlett.0c00047 BindingDB Entry DOI: 10.7270/Q2TB1BFV
					More data for this Ligand-Target Pair