Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Diacylglycerol kinase alpha' and Ligand = 'BDBM43868'   

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
Diacylglycerol kinase alpha (Homo sapiens)	BDBM43868 (3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...) Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)| Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM43868 (3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...) Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)| Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM43868 (3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...) Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)| Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Homo sapiens)	BDBM43868 (3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...) Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)| Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Sus scrofa)	BDBM43868 (3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...) Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)| Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair
Diacylglycerol kinase alpha (Sus scrofa)	BDBM43868 (3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]e...) Show SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)| Show InChI InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Piemonte Orientale Curated by ChEMBL					Assay Description Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...				Eur J Med Chem 164: 378-390 (2019) Article DOI: 10.1016/j.ejmech.2018.12.061 BindingDB Entry DOI: 10.7270/Q2N01B01
					More data for this Ligand-Target Pair