Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'lentini' and Initial = 'na'   

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))	BDBM50278622 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278623 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.790	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278624 (CHEMBL4165237) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]P([#8-])(=O)[#8]P([#8-])([#8-])=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)/p-3/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278625 (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 UniProtKB/SwissProt GoogleScholar AffyNet	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 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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278626 (CHEMBL4175860) Show SMILES [Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]P([#8-])(=O)[#8]-c1cccc2ccccc12 Show InChI InChI=1S/C16H19O4P/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)/p-1/b13-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	610	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278627 (CHEMBL4172010) Show SMILES [Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]P([#8-])(=O)[#8]-c1ccccc1 Show InChI InChI=1S/C12H17O4P/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)/p-1/b11-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	870	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278628 (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 AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278623 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278625 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278629 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278630 (CHEMBL4172453) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]P([#8-])([#8-])=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)/p-2/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem 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 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) Article DOI: 10.1021/acsmedchemlett.7b00245 BindingDB Entry DOI: 10.7270/Q23F4S59
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459332 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459333 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459334 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459335 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459333 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459336 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459337 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459334 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.440	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					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 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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459338 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459332 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459339 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459336 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278630 (CHEMBL4172453) Show SMILES [Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]P([#8-])([#8-])=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)/p-2/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem 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 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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459340 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459337 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.820	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459335 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.360	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459339 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					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 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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459341 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.580	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459338 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459341 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/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) Article DOI: 10.1021/acs.jmedchem.8b00655 BindingDB Entry DOI: 10.7270/Q2CZ39RD
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459332 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502752 (CHEMBL4561436) Show SMILES CCOC(=O)[C@H](C)N[P@@](=O)(CC\C=C(/C)CO)Oc1ccccc1 |r| Show InChI InChI=1S/C17H26NO5P/c1-4-22-17(20)15(3)18-24(21,12-8-9-14(2)13-19)23-16-10-6-5-7-11-16/h5-7,9-11,15,19H,4,8,12-13H2,1-3H3,(H,18,21)/b14-9+/t15-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459332 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502752 (CHEMBL4561436) Show SMILES CCOC(=O)[C@H](C)N[P@@](=O)(CC\C=C(/C)CO)Oc1ccccc1 |r| Show InChI InChI=1S/C17H26NO5P/c1-4-22-17(20)15(3)18-24(21,12-8-9-14(2)13-19)23-16-10-6-5-7-11-16/h5-7,9-11,15,19H,4,8,12-13H2,1-3H3,(H,18,21)/b14-9+/t15-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502753 (CHEMBL4475541) Show SMILES CCOC(=O)[C@H](C)N[P@](=O)(CC\C=C(/C)CO)Oc1ccccc1 |r| Show InChI InChI=1S/C17H26NO5P/c1-4-22-17(20)15(3)18-24(21,12-8-9-14(2)13-19)23-16-10-6-5-7-11-16/h5-7,9-11,15,19H,4,8,12-13H2,1-3H3,(H,18,21)/b14-9+/t15-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	460	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502754 (CHEMBL4580175) Show SMILES CCOC(=O)[C@@H](C)N[P@@](=O)(CC\C=C(/C)CO)Oc1ccccc1 |r| Show InChI InChI=1S/C17H26NO5P/c1-4-22-17(20)15(3)18-24(21,12-8-9-14(2)13-19)23-16-10-6-5-7-11-16/h5-7,9-11,15,19H,4,8,12-13H2,1-3H3,(H,18,21)/b14-9+/t15-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502755 (CHEMBL4449920) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=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)/p-3/b5-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278624 (CHEMBL4165237) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]P([#8-])(=O)[#8]P([#8-])([#8-])=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)/p-3/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502756 (CHEMBL4473949) Show SMILES CCOC(=O)[C@@H](C)N[P@](=O)(CC\C=C(/C)CO)Oc1ccccc1 |r| Show InChI InChI=1S/C17H26NO5P/c1-4-22-17(20)15(3)18-24(21,12-8-9-14(2)13-19)23-16-10-6-5-7-11-16/h5-7,9-11,15,19H,4,8,12-13H2,1-3H3,(H,18,21)/b14-9+/t15-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502754 (CHEMBL4580175) Show SMILES CCOC(=O)[C@@H](C)N[P@@](=O)(CC\C=C(/C)CO)Oc1ccccc1 |r| Show InChI InChI=1S/C17H26NO5P/c1-4-22-17(20)15(3)18-24(21,12-8-9-14(2)13-19)23-16-10-6-5-7-11-16/h5-7,9-11,15,19H,4,8,12-13H2,1-3H3,(H,18,21)/b14-9+/t15-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50278624 (CHEMBL4165237) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#6]P([#8-])(=O)[#8]P([#8-])([#8-])=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)/p-3/b6-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem 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 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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50459332 (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+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502753 (CHEMBL4475541) Show SMILES CCOC(=O)[C@H](C)N[P@](=O)(CC\C=C(/C)CO)Oc1ccccc1 |r| Show InChI InChI=1S/C17H26NO5P/c1-4-22-17(20)15(3)18-24(21,12-8-9-14(2)13-19)23-16-10-6-5-7-11-16/h5-7,9-11,15,19H,4,8,12-13H2,1-3H3,(H,18,21)/b14-9+/t15-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502754 (CHEMBL4580175) Show SMILES CCOC(=O)[C@@H](C)N[P@@](=O)(CC\C=C(/C)CO)Oc1ccccc1 |r| Show InChI InChI=1S/C17H26NO5P/c1-4-22-17(20)15(3)18-24(21,12-8-9-14(2)13-19)23-16-10-6-5-7-11-16/h5-7,9-11,15,19H,4,8,12-13H2,1-3H3,(H,18,21)/b14-9+/t15-,24-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	430	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
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	>1.00E+5	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
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	2.30E+4	n/a	n/a	n/a	n/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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair
Butyrophilin subfamily 3 member A1 (Homo sapiens (Human))	BDBM50502755 (CHEMBL4449920) Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[#6]\[#6](-[#6]-[#8])=[#6]/[#6]-[#8]P([#8-])(=O)[#8]P([#8-])([#8-])=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)/p-3/b5-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 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 BindingDB Entry DOI: 10.7270/Q26W9F98
					More data for this Ligand-Target Pair

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