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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ryanodine receptor 1' and Ligand = 'BDBM50044988'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50044988
PNG
(CHEMBL432278 | N-methyl ryanodine-succinamidate)
Show SMILES CNC(=O)CCC(=O)O[C@@H]1C(C)CCC2(O)[C@]3(C)CC4(O)OC12C1(O)C3(O)[C@H](OC(=O)c2ccc[nH]2)C(O)(C(C)C)C41C |TLB:22:23:36.27:16.19.18,14:16:41:22.21,14:16:23:36.27,26:25:22.14:41.19.18,26:25:41:22.21,21:19:23:36.27,28:27:23:16.19.18,42:41:22.21:25.16.18,THB:24:23:36.27:16.19.18,14:22:41:25.16.18,36:41:22.21:25.16.18,27:25:22.14:41.19.18,27:25:41:22.21,9:22:41:25.16.18,20:19:23:36.27,37:36:23:16.19.18|
Show InChI InChI=1S/C30H42N2O11/c1-15(2)27(38)22(42-21(35)17-8-7-13-32-17)28(39)23(4)14-26(37)24(27,5)30(28,40)29(43-26)20(16(3)11-12-25(23,29)36)41-19(34)10-9-18(33)31-6/h7-8,13,15-16,20,22,32,36-40H,9-12,14H2,1-6H3,(H,31,33)/t16?,20-,22-,23+,24?,25?,26?,27?,28?,29?,30?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 49n/an/an/an/an/an/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
More data for this
Ligand-Target Pair