BDBM50516697 CHEMBL4302450

SMILES: C\C(CO)=C/CCP(O)(=O)OP(O)(O)=O

InChI Key: InChIKey=YYYUHBYKZCBOPY-ZZXKWVIFSA-N

Data: 2 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50516697   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Activation of BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as induction of IL2-stimulated cell proliferation by measuring increase i...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825
					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	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
					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	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
					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	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Western Michigan University Curated by ChEMBL					Assay Description Activation of BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as induction of IL2-stimulated IFNgamma production measured after 48 hrs ...				J Med Chem 62: 6814-6823 (2019) Article DOI: 10.1021/acs.jmedchem.9b00825
					More data for this Ligand-Target Pair				3D Structure (crystal)