Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ryanodine receptor 1' and Ligand = 'BDBM50044984'   

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)	BDBM50044984 (CHEMBL416926 | Di-Benzyloxycarbonyl-guanidino acet...) 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)CNC(NC(=O)OCc6ccccc6)=NC(=O)OCc6ccccc6)C(C)CCC35O)C2(O)C14C |w:41.43,TLB:56:16:60:22.21,3:60:22.21:14.16.18,15:14:22.56:60.19.18,15:14:60:22.21,59:58:3.5:16.19.18,6:5:58:16.19.18,20:19:58:3.5,THB:22:58:3.5:16.19.18,56:22:60:14.16.18,56:16:58:3.5,4:3:58:16.19.18,5:14:22.56:60.19.18,5:14:60:22.21,21:19:58:3.5,61:60:22.21:14.16.18,23:22:60:14.16.18| Show InChI InChI=1S/C44H52N4O14/c1-25(2)41(55)33(61-32(50)29-17-12-20-45-29)42(56)37(4)24-40(54)38(41,5)44(42,57)43(62-40)31(26(3)18-19-39(37,43)53)60-30(49)21-46-34(47-35(51)58-22-27-13-8-6-9-14-27)48-36(52)59-23-28-15-10-7-11-16-28/h6-17,20,25-26,31,33,45,53-57H,18-19,21-24H2,1-5H3,(H2,46,47,48,51,52)/t26?,31-,33-,37+,38?,39?,40?,41?,42?,43?,44?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	136	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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