Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1' and Ligand = 'BDBM50431168'   

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)	BDBM50431168 (CHEMBL2332552) Show SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3O[C@H]4N=C(CCC)O[C@@]4(C)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |r,t:20,25| Show InChI InChI=1S/C38H57NO11/c1-10-14-15-16-17-20-28(42)46-32-30-29(23(6)31(32)47-34(43)22(5)13-4)33-38(44,37(9)35(48-33)39-26(50-37)18-11-2)25(45-27(41)19-12-3)21-36(30,8)49-24(7)40/h13,25,30-33,35,44H,10-12,14-21H2,1-9H3/b22-13-/t25-,30+,31-,32-,33-,35+,36-,37+,38+/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	20	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