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Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with Target = 'Butyrophilin subfamily 3 member A1'   
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
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236893
PNG
(CHEBI:15664 | CHEMBL145233)
Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
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n/an/an/an/a 0.0600n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459333
PNG
(CHEMBL4203452)
Show SMILES CC(C)OC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1cccc2ccccc12
Show InChI InChI=1S/C21H28NO5P/c1-16(2)26-21(24)14-22-28(25,13-7-8-17(3)15-23)27-20-12-6-10-18-9-4-5-11-19(18)20/h4-6,8-12,16,23H,7,13-15H2,1-3H3,(H,22,25)/b17-8+
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n/an/an/an/a 0.340n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459335
PNG
(CHEMBL4215122)
Show SMILES CCOC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1cccc2ccccc12
Show InChI InChI=1S/C20H26NO5P/c1-3-25-20(23)14-21-27(24,13-7-8-16(2)15-22)26-19-12-6-10-17-9-4-5-11-18(17)19/h4-6,8-12,22H,3,7,13-15H2,1-2H3,(H,21,24)/b16-8+
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n/an/an/an/a 0.360n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459332
PNG
(CHEMBL4204044)
Show SMILES CCOC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccccc1
Show InChI InChI=1S/C16H24NO5P/c1-3-21-16(19)12-17-23(20,11-7-8-14(2)13-18)22-15-9-5-4-6-10-15/h4-6,8-10,18H,3,7,11-13H2,1-2H3,(H,17,20)/b14-8+
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n/an/an/an/a 0.360n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459334
PNG
(CHEMBL4216254)
Show SMILES COC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1cccc2ccccc12
Show InChI InChI=1S/C19H24NO5P/c1-15(14-21)7-6-12-26(23,20-13-19(22)24-2)25-18-11-5-9-16-8-3-4-10-17(16)18/h3-5,7-11,21H,6,12-14H2,1-2H3,(H,20,23)/b15-7+
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n/an/an/an/a 0.440n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50271368
PNG
(CHEMBL4126016)
Show SMILES C[C@H](NP(=O)(OC\C=C(/C)CO[Si](C)(C)C(C)(C)C)Oc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H40NO6PSi/c1-22(20-33-36(6,7)27(3,4)5)18-19-32-35(30,34-25-16-12-9-13-17-25)28-23(2)26(29)31-21-24-14-10-8-11-15-24/h8-18,23H,19-21H2,1-7H3,(H,28,30)/b22-18+/t23-,35?/m0/s1
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PubMed
n/an/an/an/a 0.450n/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)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236893
PNG
(CHEBI:15664 | CHEMBL145233)
Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
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Article
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n/an/an/an/a 0.510n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation treated for 72 hrs measured...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236893
PNG
(CHEBI:15664 | CHEMBL145233)
Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
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n/an/an/an/a 0.510n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459336
PNG
(CHEMBL4215653)
Show SMILES CCOC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C20H26NO5P/c1-3-25-20(23)14-21-27(24,12-6-7-16(2)15-22)26-19-11-10-17-8-4-5-9-18(17)13-19/h4-5,7-11,13,22H,3,6,12,14-15H2,1-2H3,(H,21,24)/b16-7+
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n/an/an/an/a 0.530n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459341
PNG
(CHEMBL4210700)
Show SMILES COC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C19H24NO5P/c1-15(14-21)6-5-11-26(23,20-13-19(22)24-2)25-18-10-9-16-7-3-4-8-17(16)12-18/h3-4,6-10,12,21H,5,11,13-14H2,1-2H3,(H,20,23)/b15-6+
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UniProtKB/SwissProt

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PubMed
n/an/an/an/a 0.580n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278623
PNG
(CHEMBL4160740)
Show SMILES C\C(CO)=C/CCP(=O)(COC(=O)C(C)(C)C)Oc1cccc2ccccc12
Show InChI InChI=1S/C22H29O5P/c1-17(15-23)9-8-14-28(25,16-26-21(24)22(2,3)4)27-20-13-7-11-18-10-5-6-12-19(18)20/h5-7,9-13,23H,8,14-16H2,1-4H3/b17-9+
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n/an/an/an/a 0.790n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459337
PNG
(CHEMBL4207267)
Show SMILES CC(C)OC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C21H28NO5P/c1-16(2)26-21(24)14-22-28(25,12-6-7-17(3)15-23)27-20-11-10-18-8-4-5-9-19(18)13-20/h4-5,7-11,13,16,23H,6,12,14-15H2,1-3H3,(H,22,25)/b17-7+
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UniProtKB/SwissProt

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n/an/an/an/a 0.820n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459339
PNG
(CHEMBL4204584)
Show SMILES CC(C)OC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccccc1
Show InChI InChI=1S/C17H26NO5P/c1-14(2)22-17(20)12-18-24(21,11-7-8-15(3)13-19)23-16-9-5-4-6-10-16/h4-6,8-10,14,19H,7,11-13H2,1-3H3,(H,18,21)/b15-8+
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n/an/an/an/a 1.10n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50271366
PNG
(CHEMBL4126163)
Show SMILES COC(=O)[C@H](C)NP(=O)(OC\C=C(/C)CO[Si](C)(C)C(C)(C)C)Oc1ccccc1
Show InChI InChI=1S/C21H36NO6PSi/c1-17(16-27-30(7,8)21(3,4)5)14-15-26-29(24,22-18(2)20(23)25-6)28-19-12-10-9-11-13-19/h9-14,18H,15-16H2,1-8H3,(H,22,24)/b17-14+/t18-,29?/m0/s1
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n/an/an/an/a 1.40n/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)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459338
PNG
(CHEMBL4208921)
Show SMILES COC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccccc1
Show InChI InChI=1S/C15H22NO5P/c1-13(12-17)7-6-10-22(19,16-11-15(18)20-2)21-14-8-4-3-5-9-14/h3-5,7-9,17H,6,10-12H2,1-2H3,(H,16,19)/b13-7+
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n/an/an/an/a 1.5n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236893
PNG
(CHEBI:15664 | CHEMBL145233)
Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+
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Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of T effector cells mediated K562 cell lysis preincubated with K562 cells ...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278625
PNG
(CHEMBL4161808)
Show SMILES C\C(CO)=C/CCP(=O)(COC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Show InChI InChI=1S/C18H33O7P/c1-14(11-19)9-8-10-26(22,13-24-16(21)18(5,6)7)25-12-23-15(20)17(2,3)4/h9,19H,8,10-13H2,1-7H3/b14-9+
PDB

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n/an/an/an/a 5.40n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation by measuring i...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236895
PNG
(CHEMBL4088948)
Show SMILES C\C(CO)=C/CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Show InChI InChI=1S/C18H33O8P/c1-14(11-19)9-8-10-27(22,25-12-23-15(20)17(2,3)4)26-13-24-16(21)18(5,6)7/h9,19H,8,10-13H2,1-7H3/b14-9+
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n/an/an/an/a 5.40n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236895
PNG
(CHEMBL4088948)
Show SMILES C\C(CO)=C/CCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Show InChI InChI=1S/C18H33O8P/c1-14(11-19)9-8-10-27(22,25-12-23-15(20)17(2,3)4)26-13-24-16(21)18(5,6)7/h9,19H,8,10-13H2,1-7H3/b14-9+
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n/an/an/an/a 5.40n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 short receptor expressed in CHO cells


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50271365
PNG
(CHEMBL4127261)
Show SMILES C[C@H](NP(=O)(OC\C=C(/C)CO[Si](C)(C)C(C)(C)C)Oc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H42NO6PSi/c1-19(18-29-33(9,10)24(6,7)8)16-17-28-32(27,31-21-14-12-11-13-15-21)25-20(2)22(26)30-23(3,4)5/h11-16,20H,17-18H2,1-10H3,(H,25,27)/b19-16+/t20-,32?/m0/s1
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n/an/an/an/a 8.90n/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)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278623
PNG
(CHEMBL4160740)
Show SMILES C\C(CO)=C/CCP(=O)(COC(=O)C(C)(C)C)Oc1cccc2ccccc12
Show InChI InChI=1S/C22H29O5P/c1-17(15-23)9-8-14-28(25,16-26-21(24)22(2,3)4)27-20-13-7-11-18-10-5-6-12-19(18)20/h5-7,9-13,23H,8,14-16H2,1-4H3/b17-9+
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n/an/an/an/a 9n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interferon gamma production in response to K562 cells prei...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50271369
PNG
(CHEMBL4127400)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC\C=C(/C)CO[Si](C)(C)C(C)(C)C)Oc1ccccc1
Show InChI InChI=1S/C23H40NO6PSi/c1-18(2)29-22(25)20(4)24-31(26,30-21-13-11-10-12-14-21)27-16-15-19(3)17-28-32(8,9)23(5,6)7/h10-15,18,20H,16-17H2,1-9H3,(H,24,26)/b19-15+/t20-,31?/m0/s1
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n/an/an/an/a 11n/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)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278629
PNG
(CHEMBL4174454)
Show SMILES C\C(CO)=C/CCP(=O)(COC(=O)C(C)(C)C)Oc1ccccc1
Show InChI InChI=1S/C18H27O5P/c1-15(13-19)9-8-12-24(21,14-22-17(20)18(2,3)4)23-16-10-6-5-7-11-16/h5-7,9-11,19H,8,12-14H2,1-4H3/b15-9+
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n/an/an/an/a 14n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation by measuring i...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278625
PNG
(CHEMBL4161808)
Show SMILES C\C(CO)=C/CCP(=O)(COC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Show InChI InChI=1S/C18H33O7P/c1-14(11-19)9-8-10-26(22,13-24-16(21)18(5,6)7)25-12-23-15(20)17(2,3)4/h9,19H,8,10-13H2,1-7H3/b14-9+
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n/an/an/an/a 24n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interferon gamma production in response to K562 cells prei...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236889
PNG
(CHEMBL4061531)
Show SMILES C\C(CO)=C/CCP(=O)(CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Show InChI InChI=1/C25H46O12P2/c1-19(14-26)12-11-13-38(30,35-15-32-20(27)23(2,3)4)18-39(31,36-16-33-21(28)24(5,6)7)37-17-34-22(29)25(8,9)10/h12,26H,11,13-18H2,1-10H3/b19-12+
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n/an/an/an/a 41n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation treated for 72 hrs measured...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459335
PNG
(CHEMBL4215122)
Show SMILES CCOC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1cccc2ccccc12
Show InChI InChI=1S/C20H26NO5P/c1-3-25-20(23)14-21-27(24,13-7-8-16(2)15-22)26-19-12-6-10-17-9-4-5-11-18(17)19/h4-6,8-12,22H,3,7,13-15H2,1-2H3,(H,21,24)/b16-8+
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n/an/an/an/a 62n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459336
PNG
(CHEMBL4215653)
Show SMILES CCOC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C20H26NO5P/c1-3-25-20(23)14-21-27(24,12-6-7-16(2)15-22)26-19-11-10-17-8-4-5-9-18(17)13-19/h4-5,7-11,13,22H,3,6,12,14-15H2,1-2H3,(H,21,24)/b16-7+
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n/an/an/an/a 93n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459341
PNG
(CHEMBL4210700)
Show SMILES COC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C19H24NO5P/c1-15(14-21)6-5-11-26(23,20-13-19(22)24-2)25-18-10-9-16-7-3-4-8-17(16)12-18/h3-4,6-10,12,21H,5,11,13-14H2,1-2H3,(H,20,23)/b15-6+
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n/an/an/an/a 120n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459334
PNG
(CHEMBL4216254)
Show SMILES COC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1cccc2ccccc12
Show InChI InChI=1S/C19H24NO5P/c1-15(14-21)7-6-12-26(23,20-13-19(22)24-2)25-18-11-5-9-16-8-3-4-10-17(16)18/h3-5,7-11,21H,6,12-14H2,1-2H3,(H,20,23)/b15-7+
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n/an/an/an/a 130n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459332
PNG
(CHEMBL4204044)
Show SMILES CCOC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccccc1
Show InChI InChI=1S/C16H24NO5P/c1-3-21-16(19)12-17-23(20,11-7-8-14(2)13-18)22-15-9-5-4-6-10-15/h4-6,8-10,18H,3,7,11-13H2,1-2H3,(H,17,20)/b14-8+
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n/an/an/an/a 170n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459337
PNG
(CHEMBL4207267)
Show SMILES CC(C)OC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C21H28NO5P/c1-16(2)26-21(24)14-22-28(25,12-6-7-17(3)15-23)27-20-11-10-18-8-4-5-9-19(18)13-20/h4-5,7-11,13,16,23H,6,12,14-15H2,1-3H3,(H,22,25)/b17-7+
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n/an/an/an/a 210n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236889
PNG
(CHEMBL4061531)
Show SMILES C\C(CO)=C/CCP(=O)(CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Show InChI InChI=1/C25H46O12P2/c1-19(14-26)12-11-13-38(30,35-15-32-20(27)23(2,3)4)18-39(31,36-16-33-21(28)24(5,6)7)37-17-34-22(29)25(8,9)10/h12,26H,11,13-18H2,1-10H3/b19-12+
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n/an/an/an/a 280n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 short receptor expressed in CHO cells


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459333
PNG
(CHEMBL4203452)
Show SMILES CC(C)OC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1cccc2ccccc12
Show InChI InChI=1S/C21H28NO5P/c1-16(2)26-21(24)14-22-28(25,13-7-8-17(3)15-23)27-20-12-6-10-18-9-4-5-11-19(18)20/h4-6,8-12,16,23H,7,13-15H2,1-3H3,(H,22,25)/b17-8+
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n/an/an/an/a 290n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459338
PNG
(CHEMBL4208921)
Show SMILES COC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccccc1
Show InChI InChI=1S/C15H22NO5P/c1-13(12-17)7-6-10-22(19,16-11-15(18)20-2)21-14-8-4-3-5-9-14/h3-5,7-9,17H,6,10-12H2,1-2H3,(H,16,19)/b13-7+
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n/an/an/an/a 460n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

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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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)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278626
PNG
(CHEMBL4175860)
Show SMILES [Na+].C\C(CO)=C/CCP([O-])(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C16H19O4P.Na/c1-13(12-17)6-5-11-21(18,19)20-16-10-4-8-14-7-2-3-9-15(14)16;/h2-4,6-10,17H,5,11-12H2,1H3,(H,18,19);/q;+1/p-1/b13-6+;
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n/an/an/an/a 610n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459339
PNG
(CHEMBL4204584)
Show SMILES CC(C)OC(=O)CNP(=O)(CC\C=C(/C)CO)Oc1ccccc1
Show InChI InChI=1S/C17H26NO5P/c1-14(2)22-17(20)12-18-24(21,11-7-8-15(3)13-19)23-16-9-5-4-6-10-16/h4-6,8-10,14,19H,7,11-13H2,1-3H3,(H,18,21)/b15-8+
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n/an/an/an/a 740n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human Vgamma9 Vdelta2 T cells mixed with human K562 cells pretreated with compound for 4 hrs assessed as INF-gamma prod...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278627
PNG
(CHEMBL4172010)
Show SMILES [Na+].C\C(CO)=C/CCP([O-])(=O)Oc1ccccc1
Show InChI InChI=1S/C12H17O4P.Na/c1-11(10-13)6-5-9-17(14,15)16-12-7-3-2-4-8-12;/h2-4,6-8,13H,5,9-10H2,1H3,(H,14,15);/q;+1/p-1/b11-6+;
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n/an/an/an/a 870n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation by measuring i...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278630
PNG
(CHEMBL4172453)
Show SMILES [Na+].[Na+].C\C(CO)=C/CCP([O-])([O-])=O
Show InChI InChI=1S/C6H13O4P.2Na/c1-6(5-7)3-2-4-11(8,9)10;;/h3,7H,2,4-5H2,1H3,(H2,8,9,10);;/q;2*+1/p-2/b6-3+;;
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n/an/an/an/a 4.00E+3n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation by measuring i...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236894
PNG
(CHEMBL4060737)
Show SMILES C\C(CO)=C/CCP(O)(O)=O
Show InChI InChI=1S/C6H13O4P/c1-6(5-7)3-2-4-11(8,9)10/h3,7H,2,4-5H2,1H3,(H2,8,9,10)/b6-3+
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n/an/an/an/a 4.00E+3n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation treated for 72 hrs measured...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278630
PNG
(CHEMBL4172453)
Show SMILES [Na+].[Na+].C\C(CO)=C/CCP([O-])([O-])=O
Show InChI InChI=1S/C6H13O4P.2Na/c1-6(5-7)3-2-4-11(8,9)10;;/h3,7H,2,4-5H2,1H3,(H2,8,9,10);;/q;2*+1/p-2/b6-3+;;
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n/an/an/an/a 4.00E+3n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278624
PNG
(CHEMBL4165237)
Show SMILES [Na+].[Na+].[Na+].C\C(CO)=C/CCP([O-])(=O)OP([O-])([O-])=O
Show InChI InChI=1S/C6H14O7P2.3Na/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12;;;/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12);;;/q;3*+1/p-3/b6-3+;;;
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n/an/an/an/a 5.10E+3n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interferon gamma production in response to K562 cells prei...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278622
PNG
(CHEMBL4168658)
Show SMILES COP(=O)(CC\C=C(/C)CO)Oc1cccc2ccccc12
Show InChI InChI=1S/C17H21O4P/c1-14(13-18)7-6-12-22(19,20-2)21-17-11-5-9-15-8-3-4-10-16(15)17/h3-5,7-11,18H,6,12-13H2,1-2H3/b14-7+
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n/an/an/an/a 5.50E+3n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human PBMC-derived Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation by measuring i...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236891
PNG
(CHEMBL4081059)
Show SMILES CC(C)=CCCP(=O)(CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
Show InChI InChI=1/C25H46O11P2/c1-19(2)13-12-14-37(29,34-15-31-20(26)23(3,4)5)18-38(30,35-16-32-21(27)24(6,7)8)36-17-33-22(28)25(9,10)11/h13H,12,14-18H2,1-11H3
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n/an/an/an/a 7.30E+3n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of T effector cells mediated K562 cell lysis preincubated with K562 cells ...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50459340
PNG
(CHEMBL4202914)
Show SMILES COP(=O)(CC\C=C(/C)CO)OC
Show InChI InChI=1S/C8H17O4P/c1-8(7-9)5-4-6-13(10,11-2)12-3/h5,9H,4,6-7H2,1-3H3/b8-5+
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Binding affinity to BTN3A1 in human PBMC assessed as stimulation of Vgamma9 Vdelta2 T cells incubated for 3 days and measured after 11 days post comp...


J Med Chem 61: 8658-8669 (2018)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236890
PNG
(CHEMBL4089656)
Show SMILES [Na+].[Na+].[Na+].C\C(CO)=C/CCP([O-])(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C7H16O6P2.3Na/c1-7(5-8)3-2-4-14(9,10)6-15(11,12)13;;;/h3,8H,2,4-6H2,1H3,(H,9,10)(H2,11,12,13);;;/q;3*+1/p-3/b7-3+;;;
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n/an/an/an/a 2.60E+4n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation treated for 72 hrs measured...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50278628
PNG
(CHEMBL4164135)
Show SMILES COP(=O)(CC\C=C(/C)CO)Oc1ccccc1
Show InChI InChI=1S/C13H19O4P/c1-12(11-14)7-6-10-18(15,16-2)17-13-8-4-3-5-9-13/h3-5,7-9,14H,6,10-11H2,1-2H3/b12-7+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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PubMed
n/an/an/an/a 3.30E+4n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...


ACS Med Chem Lett 8: 914-918 (2017)

More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236890
PNG
(CHEMBL4089656)
Show SMILES [Na+].[Na+].[Na+].C\C(CO)=C/CCP([O-])(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C7H16O6P2.3Na/c1-7(5-8)3-2-4-14(9,10)6-15(11,12)13;;;/h3,8H,2,4-6H2,1H3,(H,9,10)(H2,11,12,13);;;/q;3*+1/p-3/b7-3+;;;
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 4.10E+4n/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of T effector cells mediated K562 cell lysis preincubated with K562 cells ...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236892
PNG
(CHEMBL4099094)
Show SMILES [Na+].[Na+].[Na+].CC(C)=CCCP([O-])(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C7H16O5P2.3Na/c1-7(2)4-3-5-13(8,9)6-14(10,11)12;;;/h4H,3,5-6H2,1-2H3,(H,8,9)(H2,10,11,12);;;/q;3*+1/p-3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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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 BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of interleukin 2 stimulated cell proliferation treated for 72 hrs measured...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
Butyrophilin subfamily 3 member A1


(Homo sapiens (Human))
BDBM50236892
PNG
(CHEMBL4099094)
Show SMILES [Na+].[Na+].[Na+].CC(C)=CCCP([O-])(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C7H16O5P2.3Na/c1-7(2)4-3-5-13(8,9)6-14(10,11)12;;;/h4H,3,5-6H2,1-2H3,(H,8,9)(H2,10,11,12);;;/q;3*+1/p-3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



University of Iowa

Curated by ChEMBL


Assay Description
Activation of BTN3A1 in human Vgamma9Vdelta2 T cells assessed as induction of T effector cells mediated K562 cell lysis preincubated with K562 cells ...


J Med Chem 60: 2373-2382 (2017)


Article DOI: 10.1021/acs.jmedchem.6b00965
BindingDB Entry DOI: 10.7270/Q2QV3PSG
More data for this
Ligand-Target Pair
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