Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ryanodine receptor 1' and Ligand = 'BDBM50044985'   

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
Ryanodine receptor 1 (Oryctolagus cuniculus)	BDBM50044985 (ryanodine-hemi-succinate) Show SMILES CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCC([O-])=O)C(C)CCC35O)C2(O)C14C |TLB:39:38:3.5:16.19.18,36:16:40:22.21,3:40:22.21:14.16.18,15:14:22.36:40.19.18,15:14:40:22.21,20:19:38:3.5,6:5:38:16.19.18,THB:22:38:3.5:16.19.18,41:40:22.21:14.16.18,36:22:40:14.16.18,36:16:38:3.5,5:14:22.36:40.19.18,5:14:40:22.21,21:19:38:3.5,23:22:40:14.16.18,4:3:38:16.19.18| Show InChI InChI=1S/C29H39NO12/c1-14(2)26(37)21(41-20(34)16-7-6-12-30-16)27(38)22(4)13-25(36)23(26,5)29(27,39)28(42-25)19(15(3)10-11-24(22,28)35)40-18(33)9-8-17(31)32/h6-7,12,14-15,19,21,30,35-39H,8-11,13H2,1-5H3,(H,31,32)/p-1/t15?,19-,21-,22+,23?,24?,25?,26?,27?,28?,29?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Affinity for sarcoplasmic reticular calcium release channel (SR CRC) of rabbit skeletal membrane vesicles				J Med Chem 36: 1319-23 (1993) BindingDB Entry DOI: 10.7270/Q2PN968V
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