Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sarcoplasmic/endoplasmic reticulum calcium ATPase 1' and Ligand = 'BDBM50527074'   

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)	BDBM50527074 (CHEMBL4536029) Show SMILES Clc1cccc(c1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1 Show InChI InChI=1S/C36H30Cl3N5/c37-27-3-1-2-26(20-27)36(42-32-12-14-40-33-21-28(38)8-10-30(32)33)25-6-4-24(5-7-25)23-43-16-18-44(19-17-43)35-13-15-41-34-22-29(39)9-11-31(34)35/h1-15,20-22,36H,16-19,23H2,(H,40,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	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 by malachite green based colorimetric method				J Med Chem 63: 1937-1963 (2020) Article DOI: 10.1021/acs.jmedchem.9b01509 BindingDB Entry DOI: 10.7270/Q29G5R8T
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