Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Butyrophilin subfamily 3 member A1' and Ligand = 'BDBM50516696'   

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))	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))	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))	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))	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