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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock cognate 71 kDa protein' and Ligand = 'BDBM50184983'   
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
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50184983
PNG
(CHEMBL3822684)
Show SMILES CNc1c(C(N)=O)c2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H18N6O5/c1-16-11-6(10(15)23)5-9(14)17-3-18-12(5)19(11)13-8(22)7(21)4(2-20)24-13/h3-4,7-8,13,16,20-22H,2H2,1H3,(H2,15,23)(H2,14,17,18)/t4-,7-,8-,13-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 3.00E+4n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis


J Med Chem 59: 4625-36 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02001
BindingDB Entry DOI: 10.7270/Q2Z03B3X
More data for this
Ligand-Target Pair
Heat shock cognate 71 kDa protein


(Homo sapiens (Human))
BDBM50184983
PNG
(CHEMBL3822684)
Show SMILES CNc1c(C(N)=O)c2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H18N6O5/c1-16-11-6(10(15)23)5-9(14)17-3-18-12(5)19(11)13-8(22)7(21)4(2-20)24-13/h3-4,7-8,13,16,20-22H,2H2,1H3,(H2,15,23)(H2,14,17,18)/t4-,7-,8-,13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.02E+4n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis


J Med Chem 59: 4625-36 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02001
BindingDB Entry DOI: 10.7270/Q2Z03B3X
More data for this
Ligand-Target Pair