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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stress-70 protein, mitochondrial' and Ligand = 'BDBM50539116'   
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
Stress-70 protein, mitochondrial


(Homo sapiens)		BDBM50539116
PNG
(CHEMBL4648147)
Show SMILES CN1c2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc2C(C)(C)C(O)C1(C)C
Show InChI InChI=1S/C21H26N4O3S/c1-20(2)16-12-14(8-11-17(16)24(5)21(3,4)18(20)26)23-19(29)22-13-6-9-15(10-7-13)25(27)28/h6-12,18,26H,1-5H3,(H2,22,23,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.30E+3n/an/an/an/an/a



Oklahoma State University

Curated by ChEMBL


Assay Description
Binding affinity to mortalin substrate binding domain (unknown origin)

Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115244
BindingDB Entry DOI: 10.7270/Q2WD443B
More data for this
Ligand-Target Pair