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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'xavier' and Initial = 'c'   
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
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572242
PNG
(CHEMBL4846230)
Show SMILES [Na;v0+].[#6]-[#7](-[#6])-c1ccc(\[#7]=[#7]\c2ccccn2)c(-[#8-])c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIO2


(Homo sapiens (Human))
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of RIOK2 in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
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n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM429521
PNG
(med.21724, Compound Gemcitabine)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
Show InChI InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
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TBA

Assay Description
Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mi...


Citation and Details

Article DOI: 10.1039/c9md00489k
BindingDB Entry DOI: 10.7270/Q2ZG6WVC
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572241
PNG
(CHEMBL2094383 | DNDI1417016)
Show SMILES Oc1ccc2ccccc2c1\N=N\c1nccs1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50553100
PNG
(CHEMBL4800221)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)C(C)C)C(N)=O |r|
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TBA

Assay Description
Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mi...


Citation and Details

Article DOI: 10.1039/c9md00489k
BindingDB Entry DOI: 10.7270/Q2ZG6WVC
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50553102
PNG
(CHEMBL4764619)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
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TBA

Assay Description
Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mi...


Citation and Details

Article DOI: 10.1039/c9md00489k
BindingDB Entry DOI: 10.7270/Q2ZG6WVC
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50553101
PNG
(CHEMBL4796317)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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TBA

Assay Description
Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mi...


Citation and Details

Article DOI: 10.1039/c9md00489k
BindingDB Entry DOI: 10.7270/Q2ZG6WVC
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572243
PNG
(CHEMBL4863735)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1.OS(=O)(=O)c1cccc2c(cccc12)S(O)(=O)=O
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50572240
PNG
(CHEMBL4857685)
Show SMILES CN(C)c1ccc(\N=N\c2ccccn2)c(O)c1
PDB

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TBA

Assay Description
Inhibition of ERG in human VCaP cells after 48 hrs by Western blotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00308
BindingDB Entry DOI: 10.7270/Q2W3813H
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50553098
PNG
(CHEMBL4778383)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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TBA

Assay Description
Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mi...


Citation and Details

Article DOI: 10.1039/c9md00489k
BindingDB Entry DOI: 10.7270/Q2ZG6WVC
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50553097
PNG
(CHEMBL4749693)
Show SMILES CSCC[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O |r|
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TBA

Assay Description
Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mi...


Citation and Details

Article DOI: 10.1039/c9md00489k
BindingDB Entry DOI: 10.7270/Q2ZG6WVC
More data for this
Ligand-Target Pair
Equilibrative nucleoside transporter 1


(Homo sapiens (Human))
BDBM50553099
PNG
(CHEMBL4746302)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Substrate activity at ENT1 in human BXPC-3 cells assessed as inhibition of cell growth pretreated with ENT1 inhibitor nitrobenzylthioinosine for 5 mi...


Citation and Details

Article DOI: 10.1039/c9md00489k
BindingDB Entry DOI: 10.7270/Q2ZG6WVC
More data for this
Ligand-Target Pair