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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 6' and Ligand = 'BDBM50530581'   
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
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50530581
PNG
(CHEMBL4444045)
Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4|
Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/m0/s1
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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


J Nat Prod 82: 2586-2593 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50530581
PNG
(CHEMBL4444045)
Show SMILES [H][C@@]12CCC=C(C)[C@@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)cc2ncoc12 |r,t:4|
Show InChI InChI=1S/C22H29NO2/c1-14-6-5-7-19-21(14,3)9-8-15(2)22(19,4)12-16-10-17(24)11-18-20(16)25-13-23-18/h6,10-11,13,15,19,24H,5,7-9,12H2,1-4H3/t15-,19+,21+,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 (unknown origin)


J Nat Prod 82: 2586-2593 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00471
BindingDB Entry DOI: 10.7270/Q2PN993V
More data for this
Ligand-Target Pair