Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 14 entry = 50008198   

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))	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