Compile Data Set for Download or QSAR

Found 756 hits Enz. Inhib. hit(s) with Target = 'Pantetheinase'   

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
Pantetheinase (Homo sapiens (Human))	BDBM50585537 (CHEMBL5084938) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cnccn2)nc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480924 (US10906888, Example 138) Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cnccn2)nc1 Show InChI InChI=1S/C20H24N6O2/c27-17(26-13-19(14-26)4-8-28-9-5-19)15-10-23-18(24-11-15)25-20(2-1-3-20)16-12-21-6-7-22-16/h6-7,10-12H,1-5,8-9,13-14H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480916 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrazin-2-yl)...) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cnccn2)nc1 Show InChI InChI=1S/C20H24N6O2/c27-17(26-8-3-19(14-26)4-9-28-10-5-19)15-11-23-18(24-12-15)25-20(1-2-20)16-13-21-6-7-22-16/h6-7,11-13H,1-5,8-10,14H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0410	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480924 (US10906888, Example 138) Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cnccn2)nc1 Show InChI InChI=1S/C20H24N6O2/c27-17(26-13-19(14-26)4-8-28-9-5-19)15-10-23-18(24-11-15)25-20(2-1-3-20)16-12-21-6-7-22-16/h6-7,10-12H,1-5,8-9,13-14H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480965 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrazin-2-yl)...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1 Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-13-21-6-7-22-16)25-18-23-11-15(12-24-18)17(27)26-8-3-20(14-26)4-9-28-10-5-20/h6-7,11-13H,3-5,8-10,14H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480965 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrazin-2-yl)...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1 Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-13-21-6-7-22-16)25-18-23-11-15(12-24-18)17(27)26-8-3-20(14-26)4-9-28-10-5-20/h6-7,11-13H,3-5,8-10,14H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480929 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrimidin-5-y...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1 Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480929 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrimidin-5-y...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1 Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0820	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480917 (7-oxa-2-azaspiro[3.5]non-2-yl(2-{[2-(pyrazin-2-yl)...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnccn1 Show InChI InChI=1S/C19H24N6O2/c1-18(2,15-11-20-5-6-21-15)24-17-22-9-14(10-23-17)16(26)25-12-19(13-25)3-7-27-8-4-19/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.0940	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475874 (US10864201, Ex. 8.2) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H23ClN4O3/c1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29/h2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475875 (US10864201, Ex. 8.3) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C23H25ClN4O2/c1-23(17-4-6-18(24)7-5-17)12-15-11-16(13-25-21(15)26-23)22(30)27-10-8-19(14-27)28-9-2-3-20(28)29/h4-7,11,13,19H,2-3,8-10,12,14H2,1H3,(H,25,26)/t19-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475883 (US10864201, Ex. 9.1) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccc(Cl)cc1)C(C)=O |r| Show InChI InChI=1S/C22H25ClN4O2/c1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17/h4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25)/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475859 (US10864201, Ex. 4.4) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C23H25FN4O2/c1-23(17-4-2-5-18(24)11-17)12-15-10-16(13-25-21(15)26-23)22(30)27-9-7-19(14-27)28-8-3-6-20(28)29/h2,4-5,10-11,13,19H,3,6-9,12,14H2,1H3,(H,25,26)/t19-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475861 (US10864201, Ex. 5.2) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H23FN4O3/c1-22(16-2-4-17(23)5-3-16)11-14-10-15(12-24-19(14)25-22)20(28)26-7-6-18(13-26)27-8-9-30-21(27)29/h2-5,10,12,18H,6-9,11,13H2,1H3,(H,24,25)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475858 (US10864201, Ex. 4.3) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1cccc(F)c1)C(C)=O |r| Show InChI InChI=1S/C22H25FN4O2/c1-14(28)26(3)19-7-8-27(13-19)21(29)16-9-15-11-22(2,25-20(15)24-12-16)17-5-4-6-18(23)10-17/h4-6,9-10,12,19H,7-8,11,13H2,1-3H3,(H,24,25)/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475872 (US10864201, Ex. 7.4) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H23ClN4O3/c1-22(16-3-2-4-17(23)10-16)11-14-9-15(12-24-19(14)25-22)20(28)26-6-5-18(13-26)27-7-8-30-21(27)29/h2-4,9-10,12,18H,5-8,11,13H2,1H3,(H,24,25)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408834 (US10364255, Ex. 25) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1=O)c1cnc2NC3(CC3)CCOc2c1 |r| Show InChI InChI=1S/C19H24N4O3/c24-16-2-1-7-23(16)14-3-8-22(12-14)18(25)13-10-15-17(20-11-13)21-19(4-5-19)6-9-26-15/h10-11,14H,1-9,12H2,(H,20,21)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475870 (US10864201, Ex. 7.2) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1cccc(Cl)c1)C(C)=O |r| Show InChI InChI=1S/C22H25ClN4O2/c1-14(28)26(3)19-7-8-27(13-19)21(29)16-9-15-11-22(2,25-20(15)24-12-16)17-5-4-6-18(23)10-17/h4-6,9-10,12,19H,7-8,11,13H2,1-3H3,(H,24,25)/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475869 (US10864201, Ex. 7.1) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H25ClN4O2/c1-23(17-4-2-5-18(24)11-17)12-15-10-16(13-25-21(15)26-23)22(30)27-9-7-19(14-27)28-8-3-6-20(28)29/h2,4-5,10-11,13,19H,3,6-9,12,14H2,1H3,(H,25,26)/t19-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475862 (US10864201, Ex. 5.3) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H25FN4O2/c1-23(17-4-6-18(24)7-5-17)12-15-11-16(13-25-21(15)26-23)22(30)27-10-8-19(14-27)28-9-2-3-20(28)29/h4-7,11,13,19H,2-3,8-10,12,14H2,1H3,(H,25,26)/t19-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475856 (US10864201, Ex. 4.1) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O)c1cccc(F)c1 |r| Show InChI InChI=1S/C22H23FN4O3/c1-22(16-3-2-4-17(23)10-16)11-14-9-15(12-24-19(14)25-22)20(28)26-6-5-18(13-26)27-7-8-30-21(27)29/h2-4,9-10,12,18H,5-8,11,13H2,1H3,(H,24,25)/t18-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480917 (7-oxa-2-azaspiro[3.5]non-2-yl(2-{[2-(pyrazin-2-yl)...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnccn1 Show InChI InChI=1S/C19H24N6O2/c1-18(2,15-11-20-5-6-21-15)24-17-22-9-14(10-23-17)16(26)25-12-19(13-25)3-7-27-8-4-19/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480956 (US10906888, Example 173) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cncnc2)nc1 Show InChI InChI=1S/C21H26N6O2/c28-18(27-7-4-20(14-27)5-8-29-9-6-20)16-10-24-19(25-11-16)26-21(2-1-3-21)17-12-22-15-23-13-17/h10-13,15H,1-9,14H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.116	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480956 (US10906888, Example 173) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cncnc2)nc1 Show InChI InChI=1S/C21H26N6O2/c28-18(27-7-4-20(14-27)5-8-29-9-6-20)16-10-24-19(25-11-16)26-21(2-1-3-21)17-12-22-15-23-13-17/h10-13,15H,1-9,14H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480963 (US10906888, Example 180) Show SMILES Cc1cnc(cn1)C(C)(C)Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2 Show InChI InChI=1S/C20H26N6O2/c1-14-8-22-16(11-21-14)19(2,3)25-18-23-9-15(10-24-18)17(27)26-12-20(13-26)4-6-28-7-5-20/h8-11H,4-7,12-13H2,1-3H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.196	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475866 (US10864201, Ex. 5.5) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccc(F)cc1)c1ncccn1 |r| Show InChI InChI=1S/C24H25FN6O/c1-24(18-4-6-19(25)7-5-18)13-16-12-17(14-28-21(16)29-24)22(32)31-11-8-20(15-31)30(2)23-26-9-3-10-27-23/h3-7,9-10,12,14,20H,8,11,13,15H2,1-2H3,(H,28,29)/t20-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475907 (US10864201, Ex. 13.1) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(CCc2c1)c1cncnc1)C(=O)C1CCC1 |r| Show InChI InChI=1S/C24H30N6O2/c1-24(19-12-25-15-26-13-19)8-6-17-10-18(11-27-21(17)28-24)23(32)30-9-7-20(14-30)29(2)22(31)16-4-3-5-16/h10-13,15-16,20H,3-9,14H2,1-2H3,(H,27,28)/t20-,24+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408845 (US10364255, Ex. 37) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)CCOc2c1)C(C)=O |r| Show InChI InChI=1S/C18H24N4O3/c1-12(23)21(2)14-3-7-22(11-14)17(24)13-9-15-16(19-10-13)20-18(4-5-18)6-8-25-15/h9-10,14H,3-8,11H2,1-2H3,(H,19,20)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408835 (US10364255, Ex. 26) Show SMILES O=C(N1CC[C@@H](C1)N1CCOC1=O)c1cnc2NC3(CC3)CCOc2c1 |r| Show InChI InChI=1S/C18H22N4O4/c23-16(21-5-1-13(11-21)22-6-8-26-17(22)24)12-9-14-15(19-10-12)20-18(2-3-18)4-7-25-14/h9-10,13H,1-8,11H2,(H,19,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475868 (N-[(3S)-1-[(2R)-2-(4-Fluorophenyl)-2-methyl-1H,2H,...) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccc(F)cc1)C(C)=O |r| Show InChI InChI=1S/C22H25FN4O2/c1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17/h4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25)/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase [22-493] (Homo sapiens (Human))	BDBM510513 (US11078182, Ex. 1.1) Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)C1CCC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buf...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PMX
					More data for this Ligand-Target Pair
Pantetheinase [22-493] (Homo sapiens (Human))	BDBM510516 (US11078182, Ex. 1.2) Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)C1CC(F)(F)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buf...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PMX
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475890 (US10864201, Ex. 11.3) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)c1ncccn1 |r| Show InChI InChI=1S/C20H26N6O/c1-20(2)7-5-14-11-15(12-23-17(14)24-20)18(27)26-10-6-16(13-26)25(3)19-21-8-4-9-22-19/h4,8-9,11-12,16H,5-7,10,13H2,1-3H3,(H,23,24)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475887 (N-[(3S)-1-[(2R)-2-(4-Cyanophenyl)-2-methyl-1H,2H,3...) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccc(cc1)C#N)C(C)=O |r| Show InChI InChI=1S/C23H25N5O2/c1-15(29)27(3)20-8-9-28(14-20)22(30)18-10-17-11-23(2,26-21(17)25-13-18)19-6-4-16(12-24)5-7-19/h4-7,10,13,20H,8-9,11,14H2,1-3H3,(H,25,26)/t20-,23+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475885 (US10864201, Ex. 9.3) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(Cc2c1)c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C22H26N4O2/c1-15(27)25(3)19-9-10-26(14-19)21(28)17-11-16-12-22(2,24-20(16)23-13-17)18-7-5-4-6-8-18/h4-8,11,13,19H,9-10,12,14H2,1-3H3,(H,23,24)/t19-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase [22-493] (Homo sapiens (Human))	BDBM510537 (US11078182, Ex. 3.1) Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)CCO)nc1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buf...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PMX
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM475873 (US10864201, Ex. 8.1) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(Cc2c1)c1ccc(Cl)cc1)C(C)=O |r| Show InChI InChI=1S/C22H25ClN4O2/c1-14(28)26(3)19-8-9-27(13-19)21(29)16-10-15-11-22(2,25-20(15)24-12-16)17-4-6-18(23)7-5-17/h4-7,10,12,19H,8-9,11,13H2,1-3H3,(H,24,25)/t19-,22?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a concentration of 5 mM, followed by...				US Patent US10864201 (2020) BindingDB Entry DOI: 10.7270/Q20K2CN9
					More data for this Ligand-Target Pair
Pantetheinase [22-493] (Homo sapiens (Human))	BDBM510538 (US11078182, Ex. 3.2) Show SMILES CCC(C)(C)Nc1ccc(cn1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buf...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PMX
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480958 (US10906888, Example 175) Show SMILES Cc1ccc(cn1)C1(CC1)Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2 Show InChI InChI=1S/C22H27N5O2/c1-16-2-3-18(14-23-16)22(4-5-22)26-20-24-12-17(13-25-20)19(28)27-9-6-21(15-27)7-10-29-11-8-21/h2-3,12-14H,4-11,15H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480931 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[(1S)-1-(pyrazin-...) Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1 |r| Show InChI InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantetheinase (Homo sapiens (Human))	BDBM480931 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[(1S)-1-(pyrazin-...) Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1 |r| Show InChI InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.242	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantetheinase (Homo sapiens (Human))	BDBM480971 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrimidin-5-y...) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C20H24N6O2/c27-17(26-6-3-19(13-26)4-7-28-8-5-19)15-9-23-18(24-10-15)25-20(1-2-20)16-11-21-14-22-12-16/h9-12,14H,1-8,13H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.277	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480971 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrimidin-5-y...) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C20H24N6O2/c27-17(26-6-3-19(13-26)4-7-28-8-5-19)15-9-23-18(24-10-15)25-20(1-2-20)16-11-21-14-22-12-16/h9-12,14H,1-8,13H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480837 (US10906888, Example 54) Show SMILES CC1CC2(CCN(C2)C(=O)c2cnc(NC3(CC3)c3cncnc3)nc2)CC(C)O1 Show InChI InChI=1S/C22H28N6O2/c1-15-7-21(8-16(2)30-15)5-6-28(13-21)19(29)17-9-25-20(26-10-17)27-22(3-4-22)18-11-23-14-24-12-18/h9-12,14-16H,3-8,13H2,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.283	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480926 (US10906888, Example 140) Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1ccc(C)nc1 |r| Show InChI InChI=1S/C21H27N5O2/c1-15-3-4-17(11-22-15)16(2)25-20-23-12-18(13-24-20)19(27)26-8-5-21(14-26)6-9-28-10-7-21/h3-4,11-13,16H,5-10,14H2,1-2H3,(H,23,24,25)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.283	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480957 (US10906888, Example 174) Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cncnc2)nc1 Show InChI InChI=1S/C20H24N6O2/c27-17(26-12-19(13-26)4-6-28-7-5-19)15-8-23-18(24-9-15)25-20(2-1-3-20)16-10-21-14-22-11-16/h8-11,14H,1-7,12-13H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.293	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description The test inhibitors were solubilized in DMSO to a stock concentration of 30 mM. On the day of the assay, dose response plates were prepared by diluti...				US Patent US10906888 (2021) BindingDB Entry DOI: 10.7270/Q2QN69WB
					More data for this Ligand-Target Pair
Pantetheinase [22-493] (Homo sapiens (Human))	BDBM510517 (US11078182, Ex. 1.3) Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)[C@@H]1CCCO1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buf...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PMX
					More data for this Ligand-Target Pair
Pantetheinase [22-493] (Homo sapiens (Human))	BDBM510518 (US11078182, Ex. 1.4) Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)c1ccc(Cl)s1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buf...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PMX
					More data for this Ligand-Target Pair
Pantetheinase [22-493] (Homo sapiens (Human))	BDBM510519 (US11078182, Ex. 1.5) Show SMILES CN([C@H]1CCN(C1)C(=O)c1ccc(NC(C)(C)C)nc1)C(=O)C1CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buf...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PMX
					More data for this Ligand-Target Pair
Pantetheinase [22-493] (Homo sapiens (Human))	BDBM510520 (US11078182, Ex. 1.6) Show SMILES CC(C)(C)Nc1ccc(cn1)C(=O)N1CC[C@@H](C1)N1CCOC1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 0.1 nM of FLAG-tagged Vanin-1 (AA 22-493, T26I, produced internally) and test compounds are incubated at room temperature for 20 minutes in assay buf...				Citation and Details BindingDB Entry DOI: 10.7270/Q25T3PMX
					More data for this Ligand-Target Pair

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