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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Anthrax toxin receptor 2' and Ligand = 'BDBM50522450'   
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
Anthrax toxin receptor 2


(Homo sapiens)		BDBM50522450
PNG
(CHEMBL4570281)
Show SMILES Oc1ccc(C(=O)O[C@@H]2CO[C@@H](OC(=O)c3ccc(O)c(O)c3O)[C@H](OC(=O)c3ccc(O)c(O)c3O)[C@@H]2OC(=O)c2ccc(O)c(O)c2O)c(O)c1O |r|
Show InChI InChI=1S/C33H26O21/c34-14-5-1-10(19(38)23(14)42)29(46)51-18-9-50-33(54-32(49)13-4-8-17(37)26(45)22(13)41)28(53-31(48)12-3-7-16(36)25(44)21(12)40)27(18)52-30(47)11-2-6-15(35)24(43)20(11)39/h1-8,18,27-28,33-45H,9H2/t18-,27-,28-,33+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM

Curated by ChEMBL


Assay Description
Inhibition of AF488-labelled PA binding to AF546- labelled GST-tagged CMG2 R40C/C178A double mutant (unknown origin) expressed in Escherichia coli BL...

J Med Chem 62: 3958-3970 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01988
BindingDB Entry DOI: 10.7270/Q2CZ3BKK
More data for this
Ligand-Target Pair