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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 = 'BDBM50044990'   
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)		BDBM50044990
PNG
((O10eq)-Benzyloxycarbonyl-beta-alanylryanodine | C...)
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)CCNC(=O)OCc6ccccc6)C(C)CCC35O)C2(O)C14C |TLB:47:46:3.5:16.19.18,44:16:48:22.21,3:48:22.21:14.16.18,15:14:22.44:48.19.18,15:14:48:22.21,20:19:46:3.5,6:5:46:16.19.18,THB:22:46:3.5:16.19.18,49:48:22.21:14.16.18,44:22:48:14.16.18,44:16:46:3.5,5:14:22.44:48.19.18,5:14:48:22.21,21:19:46:3.5,23:22:48:14.16.18,4:3:46:16.19.18|
Show InChI InChI=1S/C36H46N2O12/c1-20(2)33(44)27(49-26(40)23-12-9-16-37-23)34(45)29(4)19-32(43)30(33,5)36(34,46)35(50-32)25(21(3)13-15-31(29,35)42)48-24(39)14-17-38-28(41)47-18-22-10-7-6-8-11-22/h6-12,16,20-21,25,27,37,42-46H,13-15,17-19H2,1-5H3,(H,38,41)/t21?,25-,27-,29+,30?,31?,32?,33?,34?,35?,36?/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 5.90n/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