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BDBM50044995 (O10eq)-beta-alanylryanodine::CHEMBL282089

SMILES: CC(C)C1(O)[C@@H](OC(=O)c2ccc[nH]2)C2(O)[C@@]3(C)CC4(O)OC5([C@H](OC(=O)CCN)C(C)CCC35O)C2(O)C14C

InChI Key: InChIKey=RNYNXNCQNFQWFI-UHHIQCFMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50044995   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Ryanodine receptor 1


(Oryctolagus cuniculus)		BDBM50044995
PNG
((O10eq)-beta-alanylryanodine | CHEMBL282089)
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)CCN)C(C)CCC35O)C2(O)C14C |TLB:15:14:22.34:38.19.18,15:14:38:22.21,37:36:3.5:16.19.18,34:16:38:22.21,3:38:22.21:14.16.18,20:19:36:3.5,6:5:36:16.19.18,THB:22:36:3.5:16.19.18,34:22:38:14.16.18,34:16:36:3.5,5:14:22.34:38.19.18,5:14:38:22.21,21:19:36:3.5,23:22:38:14.16.18,4:3:36:16.19.18,39:38:22.21:14.16.18|
Show InChI InChI=1S/C28H40N2O10/c1-14(2)25(35)20(39-19(32)16-7-6-12-30-16)26(36)21(4)13-24(34)22(25,5)28(26,37)27(40-24)18(38-17(31)9-11-29)15(3)8-10-23(21,27)33/h6-7,12,14-15,18,20,30,33-37H,8-11,13,29H2,1-5H3/t15?,18-,20-,21+,22?,23?,24?,25?,26?,27?,28?/m1/s1
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MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.60n/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