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Compile Data Set for Download or QSAR

Found 4 hits of ec50 for monomerid = 12578   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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Article
PubMed
n/an/an/an/a 487n/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Binding affinity to butyrophilin 3A1 in human Vgamma9/Vdelta2 T-cells assessed as activation of Vgamma9/Vdelta2 T-cells by upregulation of CD69 and C...


J Med Chem 61: 2111-2117 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01824
BindingDB Entry DOI: 10.7270/Q2JD509N
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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Article
PubMed
n/an/an/an/a 2.30E+4n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 240 mins followed by HMBPP-treated Vgamma9V...


ACS Med Chem Lett 10: 1284-1289 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00153
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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Article
PubMed
n/an/an/an/a 7.90E+4n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 60 mins followed by HMBPP-treated Vgamma9Vd...


ACS Med Chem Lett 10: 1284-1289 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00153
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
PDB

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 15 mins followed by HMBPP-treated Vgamma9Vd...


ACS Med Chem Lett 10: 1284-1289 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00153
More data for this
Ligand-Target Pair