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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50012298   
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
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50556306
PNG
(CHEMBL4780037)
Show SMILES [Na;v0+].[H][C@]1([#8][C@@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#8]-[#6]-c1ccccc1)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 458n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50556307
PNG
(CHEMBL4788433)
Show SMILES [Na;v0+].[H][C@]1([#8][C@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#6](-[#8-])=O)n1cc(nn1)-c1ccccc1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 335n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50556308
PNG
(CHEMBL4760637)
Show SMILES [Na;v0+].[H][C@]1([#8][C@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#6](-[#8-])=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 620n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50556309
PNG
(CHEMBL4797221)
Show SMILES [Na;v0+].[H][C@]1([#8][C@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#6](-[#8-])=O)n1cc(-[#6]-c2ccccc2)nn1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 952n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens (Human))
BDBM50556307
PNG
(CHEMBL4788433)
Show SMILES [Na;v0+].[H][C@]1([#8][C@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#6](-[#8-])=O)n1cc(nn1)-c1ccccc1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.07E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human MAG by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50556311
PNG
(CHEMBL4783164)
Show SMILES [Na;v0+].[H][C@]1([#8][C@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#6](-[#8-])=O)n1cc(-[#8]-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)nn1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 860n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50556312
PNG
(CHEMBL4739978)
Show SMILES [Na;v0+].[H][C@]1([#8][C@@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#8]-[#6]-c1ccc(cc1)C#C)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 628n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50556313
PNG
(CHEMBL4761167)
Show SMILES [Na;v0+].[H][C@@]12[#6]-[#16]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-n3cc(nn3)-c3ccc(-[#6]-[#8][C@@]4([#6]-[#6@H](-[#8])-[#6@@H](-[#7]-[#6](=O)-[#6]-[#8])[C@@]([H])([#8]4)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c4ccc(cc4)-c4ccc(-[#8])cc4)[#6](-[#8-])=O)cc3)[C@]1([H])[#7]-[#6](=O)-[#7]2 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 740n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
Myelin-associated glycoprotein


(Homo sapiens (Human))
BDBM50556306
PNG
(CHEMBL4780037)
Show SMILES [Na;v0+].[H][C@]1([#8][C@@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#8]-[#6]-c1ccccc1)[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.64E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human MAG by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair
B-cell receptor CD22


(Homo sapiens (Human))
BDBM50556310
PNG
(CHEMBL4752379)
Show SMILES [Na;v0+].[H][C@]1([#8][C@]([#6]-[#6@H](-[#8])-[#6@H]1-[#7]-[#6](=O)-[#6]-[#8])([#6](-[#8-])=O)n1cc(-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)nn1)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccc(-[#8])cc1 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 766n/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant human CD22d1-3-Fc expressed in 293T cells by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112707
BindingDB Entry DOI: 10.7270/Q2GF0Z6Q
More data for this
Ligand-Target Pair