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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Forkhead box protein O1'   
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
Forkhead box protein O1


(Homo sapiens (Human))
BDBM50600522
PNG
(CHEMBL5192734)
Show SMILES CCn1cc(C(O)=O)c(=O)c2c(N)c(F)c(NC3CCCCC3)cc12
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 33n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116782
BindingDB Entry DOI: 10.7270/Q2J67N05
More data for this
Ligand-Target Pair
Forkhead box protein O1


(Homo sapiens (Human))
BDBM50259870
PNG
(CHEMBL481437 | psammaplysene A)
Show SMILES CN(C)CCCOc1c(Br)cc(\C=C\C(=O)NCCCOc2c(Br)cc(CCN(C)C)cc2Br)cc1Br
Show InChI InChI=1S/C27H35Br4N3O3/c1-33(2)11-6-14-37-27-21(28)15-19(16-22(27)29)7-8-25(35)32-10-5-13-36-26-23(30)17-20(18-24(26)31)9-12-34(3)4/h7-8,15-18H,5-6,9-14H2,1-4H3,(H,32,35)/b8-7+
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CHEMBL
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PC cid
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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FOXO1a (unknown origin) nuclear export in PTEN-deficient cells


J Nat Prod 68: 574-6 (2005)


Article DOI: 10.1021/np049624z
BindingDB Entry DOI: 10.7270/Q2CR5T47
More data for this
Ligand-Target Pair
Forkhead box protein O1


(Homo sapiens (Human))
BDBM50259871
PNG
(CHEMBL481438 | psammaplysene B)
Show SMILES CNCCCOc1c(Br)cc(\C=C\C(=O)NCCCOc2c(Br)cc(CCN(C)C)cc2Br)cc1Br
Show InChI InChI=1S/C26H33Br4N3O3/c1-31-9-4-12-35-25-20(27)14-18(15-21(25)28)6-7-24(34)32-10-5-13-36-26-22(29)16-19(17-23(26)30)8-11-33(2)3/h6-7,14-17,31H,4-5,8-13H2,1-3H3,(H,32,34)/b7-6+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of FOXO1a (unknown origin) nuclear export in PTEN-deficient cells


J Nat Prod 68: 574-6 (2005)


Article DOI: 10.1021/np049624z
BindingDB Entry DOI: 10.7270/Q2CR5T47
More data for this
Ligand-Target Pair