Compile Data Set for Download or QSAR

Found 151 hits Enz. Inhib. hit(s) with Target = 'Butyrophilin subfamily 3 member A1'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R499A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516697 (CHEMBL4302450) Show SMILES C\C(CO)=C/CCP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/C6H14O7P2/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)/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516697 (CHEMBL4302450) Show SMILES C\C(CO)=C/CCP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/C6H14O7P2/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)/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measur...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 W421A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R442A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) at pH ...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measur...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measur...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R448A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measur...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516698 (CHEMBL4116247) Show SMILES C\C(CO)=C/CCP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/C7H16O6P2/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)/b7-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516699 (CHEBI:16057 | DIMETHYLALLYL DIPHOSPHATE | Dimethyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#8]P([#8])(=O)[#8]P([#8])([#8])=O Show InChI InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>3.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 H381R mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM25257 (({hydroxy[(3-methylbut-3-en-1-yl)oxy]phosphoryl}ox...) Show SMILES CC(=C)CCOP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	5.13E+5	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516696 (CHEMBL4521062) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]-[#6]-[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C8H17O4P/c1-8(7-9)5-3-2-4-6-13(10,11)12/h5,9H,2-4,6-7H2,1H3,(H2,10,11,12)/p-2/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516696 (CHEMBL4521062) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]-[#6]-[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C8H17O4P/c1-8(7-9)5-3-2-4-6-13(10,11)12/h5,9H,2-4,6-7H2,1H3,(H2,10,11,12)/p-2/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measur...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278316 (CHEMBL450079 | sodium pyrophosphate(V)) Show SMILES [O-]P([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.14E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.56E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 B30.2 domain (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.19E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 W421A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.22E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R442A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516696 (CHEMBL4521062) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]-[#6]-[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C8H17O4P/c1-8(7-9)5-3-2-4-6-13(10,11)12/h5,9H,2-4,6-7H2,1H3,(H2,10,11,12)/p-2/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.24E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 W421A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.39E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 M424A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516696 (CHEMBL4521062) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]-[#6]-[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C8H17O4P/c1-8(7-9)5-3-2-4-6-13(10,11)12/h5,9H,2-4,6-7H2,1H3,(H2,10,11,12)/p-2/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.43E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R442A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516696 (CHEMBL4521062) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]-[#6]-[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C8H17O4P/c1-8(7-9)5-3-2-4-6-13(10,11)12/h5,9H,2-4,6-7H2,1H3,(H2,10,11,12)/p-2/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R499A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.83E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R499A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.85E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 full interaction domain (unknown origin) expressed in Escherichia coli BL21 (DE) measur...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.93E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R448A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516696 (CHEMBL4521062) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]-[#6]-[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C8H17O4P/c1-8(7-9)5-3-2-4-6-13(10,11)12/h5,9H,2-4,6-7H2,1H3,(H2,10,11,12)/p-2/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.62E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 R448A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50516696 (CHEMBL4521062) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]-[#6]-[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C8H17O4P/c1-8(7-9)5-3-2-4-6-13(10,11)12/h5,9H,2-4,6-7H2,1H3,(H2,10,11,12)/p-2/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.35E+6	n/a	n/a	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Displacement of GDP-BODIPY from C-terminal 6His-tagged BTN3A1 M424A mutant (unknown origin) expressed in Escherichia coli BL21 (DE) measured after 60...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825 BindingDB Entry DOI: 10.7270/Q2N87F5J
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236888 (CHEMBL4097373) Show SMILES COP(=O)(CC\C=C(/C)CO)CP(=O)(OC)OC Show InChI InChI=1S/C10H22O6P2/c1-10(8-11)6-5-7-17(12,14-2)9-18(13,15-3)16-4/h6,11H,5,7-9H2,1-4H3/b10-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Inhibitory activity towards Beta-Glucosidase from Caldocellum saccharol				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))	BDBM50236889 (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=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/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))	BDBM50236888 (CHEMBL4097373) Show SMILES COP(=O)(CC\C=C(/C)CO)CP(=O)(OC)OC Show InChI InChI=1S/C10H22O6P2/c1-10(8-11)6-5-7-17(12,14-2)9-18(13,15-3)16-4/h6,11H,5,7-9H2,1-4H3/b10-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description In vitro for its ability to displace [3H]- spiperone from cloned human dopamine D2 long 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))	BDBM50236889 (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=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	280	n/a	n/a	n/a	n/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))	BDBM50236890 (CHEMBL4089656) Show SMILES [Na+].[Na+].[Na+].C\C(CO)=C/CCP([O-])(=O)CP([O-])([O-])=O Show InChI InChI=1S/C7H16O6P2/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)/p-3/b7-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/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))	BDBM50236891 (CHEMBL4081059) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]P(=O)([#6]P(=O)([#8]-[#6]-[#8]-[#6](=O)C([#6])([#6])[#6])[#8]-[#6]-[#8]-[#6](=O)C([#6])([#6])[#6])[#8]-[#6]-[#8]-[#6](=O)C([#6])([#6])[#6] Show InChI InChI=1S/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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D3 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))	BDBM50236890 (CHEMBL4089656) Show SMILES [Na+].[Na+].[Na+].C\C(CO)=C/CCP([O-])(=O)CP([O-])([O-])=O Show InChI InChI=1S/C7H16O6P2/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)/p-3/b7-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/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))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/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 Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50236892 (CHEMBL4099094) Show SMILES [Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]P([#8-])(=O)[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C7H16O5P2/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)/p-3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/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))	BDBM50236891 (CHEMBL4081059) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]P(=O)([#6]P(=O)([#8]-[#6]-[#8]-[#6](=O)C([#6])([#6])[#6])[#8]-[#6]-[#8]-[#6](=O)C([#6])([#6])[#6])[#8]-[#6]-[#8]-[#6](=O)C([#6])([#6])[#6] Show InChI InChI=1S/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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/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 (CHEMBL4099094) Show SMILES [Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6]P([#8-])(=O)[#6]P([#8-])([#8-])=O Show InChI InChI=1S/C7H16O5P2/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)/p-3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/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))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/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))	BDBM50236895 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/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))	BDBM50236894 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/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))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.510	n/a	n/a	n/a	n/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 Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50271365 (CHEMBL4127261) Show SMILES [#6]-[#6@H](-[#7]P(=O)([#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[#8]-c1ccccc1)-[#6](=O)-[#8]C([#6])([#6])[#6] |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/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))	BDBM50236893 (CHEBI:15664 | CHEMBL145233) Show SMILES C\C(CO)=C/COP(O)(=O)OP(O)(O)=O Show InChI InChI=1S/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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/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				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM12578 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	487	n/a	n/a	n/a	n/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))	BDBM50271366 (CHEMBL4126163) Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6])-[#7]P(=O)([#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[#8]-c1ccccc1 |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/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))	BDBM50271368 (CHEMBL4126016) Show SMILES [#6]-[#6@H](-[#7]P(=O)([#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#8][Si;v4]([#6])([#6])C([#6])([#6])[#6])[#8]-c1ccccc1)-[#6](=O)-[#8]-[#6]-c1ccccc1 |r| 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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.450	n/a	n/a	n/a	n/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

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