Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1' and Ligand = 'BDBM50326742'   

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)	BDBM50326742 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trih...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@](C)(OC(C)=O)[C@@H]12 |r,t:20| Show InChI InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9-/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rabbit sarcoplasmic reticulum calcium ATPase by ATP regeneration assay				Bioorg Med Chem 18: 5634-46 (2010) Article DOI: 10.1016/j.bmc.2010.06.032 BindingDB Entry DOI: 10.7270/Q2RB74VD
					More data for this Ligand-Target Pair
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (Oryctolagus cuniculus)	BDBM50326742 ((3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-3,3a,4-trih...) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@](C)(OC(C)=O)[C@@H]12 |r,t:20| Show InChI InChI=1S/C30H44O11/c1-8-10-11-12-13-14-20(33)38-24-22-21(17(4)23(24)39-26(34)16(3)9-2)25-30(37,29(7,36)27(35)40-25)19(32)15-28(22,6)41-18(5)31/h9,19,22-25,32,36-37H,8,10-15H2,1-7H3/b16-9-/t19-,22+,23-,24-,25-,28-,29+,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to SERCA1a in sarcoplasmic reticulum vesicles of rabbit skeletal muscle after 2.5 to 6 mins by spectrophotometric analysis				J Med Chem 56: 3609-19 (2013) Article DOI: 10.1021/jm4001083 BindingDB Entry DOI: 10.7270/Q20V8F4F
					More data for this Ligand-Target Pair