Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 8626   

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))	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))	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))	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))	BDBM408829 (US10364255, Ex. 21) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)COc2c1)C(C)=O |r| Show InChI InChI=1S/C17H22N4O3/c1-11(22)20(2)13-3-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(4-5-17)10-24-14/h7-8,13H,3-6,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM408828 (US10364255, Ex. 20 | US10364255, Ex. 22) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2NC3(CC3)COc2c1 Show InChI InChI=1S/C19H20N4O2/c24-18(23-8-3-14(11-23)13-1-6-20-7-2-13)15-9-16-17(21-10-15)22-19(4-5-19)12-25-16/h1-2,6-7,9-10,14H,3-5,8,11-12H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	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))	BDBM408822 (US10364255, Ex. 14) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)COc2c1)C(C)=O |r| Show InChI InChI=1S/C17H24N4O3/c1-11(22)20(4)13-5-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(2,3)10-24-14/h7-8,13H,5-6,9-10H2,1-4H3,(H,18,19)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	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))	BDBM408833 (US10364255, Ex. 24) Show SMILES CN1C(=O)CC[C@@]11CCN(C1)C(=O)c1cnc2NC3(CC3)CCOc2c1 |r| Show InChI InChI=1S/C19H24N4O3/c1-22-15(24)2-3-19(22)6-8-23(12-19)17(25)13-10-14-16(20-11-13)21-18(4-5-18)7-9-26-14/h10-11H,2-9,12H2,1H3,(H,20,21)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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))	BDBM408824 (US10364255, Ex. 16) Show SMILES O=C(N1CC[C@@H](C1)N1CCOC1=O)c1cnc2NC3(CC3)COc2c1 |r| Show InChI InChI=1S/C17H20N4O4/c22-15(20-4-1-12(9-20)21-5-6-24-16(21)23)11-7-13-14(18-8-11)19-17(2-3-17)10-25-13/h7-8,12H,1-6,9-10H2,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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))	BDBM408825 (US10364255, Ex. 17) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)COc2c1)C(=O)C1CC1 |r| Show InChI InChI=1S/C19H24N4O3/c1-22(17(24)12-2-3-12)14-4-7-23(10-14)18(25)13-8-15-16(20-9-13)21-19(5-6-19)11-26-15/h8-9,12,14H,2-7,10-11H2,1H3,(H,20,21)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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))	BDBM408823 (US10364255, Ex. 15) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1=O)c1cnc2NC3(CC3)COc2c1 |r| Show InChI InChI=1S/C18H22N4O3/c23-15-2-1-6-22(15)13-3-7-21(10-13)17(24)12-8-14-16(19-9-12)20-18(4-5-18)11-25-14/h8-9,13H,1-7,10-11H2,(H,19,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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))	BDBM408826 (US10364255, Ex. 18) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)COc2c1)C(=O)C1COC1 |r| Show InChI InChI=1S/C19H24N4O4/c1-22(17(24)13-9-26-10-13)14-2-5-23(8-14)18(25)12-6-15-16(20-7-12)21-19(3-4-19)11-27-15/h6-7,13-14H,2-5,8-11H2,1H3,(H,20,21)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	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))	BDBM408836 (US10364255, Ex. 27) Show SMILES CN1C(=O)CCC11CCN(C1)C(=O)c1cnc2NC3(CC3)CCOc2c1 Show InChI InChI=1S/C19H24N4O3/c1-22-15(24)2-3-19(22)6-8-23(12-19)17(25)13-10-14-16(20-11-13)21-18(4-5-18)7-9-26-14/h10-11H,2-9,12H2,1H3,(H,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09	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))	BDBM408850 (US10364255, Ex. 42) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NCC(C)(C)COc2c1)C(C)=O |r| Show InChI InChI=1S/C18H26N4O3/c1-12(23)21(4)14-5-6-22(9-14)17(24)13-7-15-16(19-8-13)20-10-18(2,3)11-25-15/h7-8,14H,5-6,9-11H2,1-4H3,(H,19,20)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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))	BDBM408841 (US10364255, Ex. 32) Show SMILES C[C@@H]1CNc2ncc(cc2O1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C16H22N4O3/c1-10-7-17-15-14(23-10)6-12(8-18-15)16(22)20-5-4-13(9-20)19(3)11(2)21/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,17,18)/t10-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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))	BDBM408812 (US10364255, Ex. 4) Show SMILES CC[C@H]1COc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C17H24N4O3/c1-4-13-10-24-15-7-12(8-18-16(15)19-13)17(23)21-6-5-14(9-21)20(3)11(2)22/h7-8,13-14H,4-6,9-10H2,1-3H3,(H,18,19)/t13-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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))	BDBM408817 (US10364255, Ex. 9) Show SMILES CC(C)[C@H]1COc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C18H26N4O3/c1-11(2)15-10-25-16-7-13(8-19-17(16)20-15)18(24)22-6-5-14(9-22)21(4)12(3)23/h7-8,11,14-15H,5-6,9-10H2,1-4H3,(H,19,20)/t14-,15+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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))	BDBM408848 (US10364255, Ex. 40) Show SMILES C[C@H]1COc2cc(cnc2N1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C18H20N4O2/c1-12-11-24-16-8-15(9-20-17(16)21-12)18(23)22-7-4-14(10-22)13-2-5-19-6-3-13/h2-3,5-6,8-9,12,14H,4,7,10-11H2,1H3,(H,20,21)/t12-,14?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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))	BDBM408852 (US10364255, Ex. 44) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NCCCOc2c1)C(C)=O |r| Show InChI InChI=1S/C16H22N4O3/c1-11(21)19(2)13-4-6-20(10-13)16(22)12-8-14-15(18-9-12)17-5-3-7-23-14/h8-9,13H,3-7,10H2,1-2H3,(H,17,18)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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))	BDBM408819 (US10364255, Ex. 11 | US10364255, Ex. 12) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2N[C@H](COc2c1)c1ccccc1 |r| Show InChI InChI=1S/C23H22N4O2/c28-23(27-11-8-18(14-27)16-6-9-24-10-7-16)19-12-21-22(25-13-19)26-20(15-29-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,18,20H,8,11,14-15H2,(H,25,26)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	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))	BDBM408821 (US10364255, Ex. 13) Show SMILES C[C@H]1COc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C16H22N4O3/c1-10-9-23-14-6-12(7-17-15(14)18-10)16(22)20-5-4-13(8-20)19(3)11(2)21/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,18)/t10-,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	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))	BDBM408828 (US10364255, Ex. 20 | US10364255, Ex. 22) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2NC3(CC3)COc2c1 Show InChI InChI=1S/C19H20N4O2/c24-18(23-8-3-14(11-23)13-1-6-20-7-2-13)15-9-16-17(21-10-15)22-19(4-5-19)12-25-16/h1-2,6-7,9-10,14H,3-5,8,11-12H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	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))	BDBM408827 (US10364255, Ex. 19) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)COc2c1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C18H24N4O4S/c1-21(27(24,25)14-2-3-14)13-4-7-22(10-13)17(23)12-8-15-16(19-9-12)20-18(5-6-18)11-26-15/h8-9,13-14H,2-7,10-11H2,1H3,(H,19,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	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))	BDBM408818 (US10364255, Ex. 10) Show SMILES CC(C)[C@H]1COc2cc(cnc2N1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C20H24N4O2/c1-13(2)17-12-26-18-9-16(10-22-19(18)23-17)20(25)24-8-5-15(11-24)14-3-6-21-7-4-14/h3-4,6-7,9-10,13,15,17H,5,8,11-12H2,1-2H3,(H,22,23)/t15?,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM408839 (US10364255, Ex. 30) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@H](COc2c1)c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C21H24N4O3/c1-14(26)24(2)17-8-9-25(12-17)21(27)16-10-19-20(22-11-16)23-18(13-28-19)15-6-4-3-5-7-15/h3-7,10-11,17-18H,8-9,12-13H2,1-2H3,(H,22,23)/t17-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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))	BDBM408849 (US10364255, Ex. 41) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC[C@@H](CO)Oc2c1)C(C)=O |r| Show InChI InChI=1S/C16H22N4O4/c1-10(22)19(2)12-3-4-20(8-12)16(23)11-5-14-15(17-6-11)18-7-13(9-21)24-14/h5-6,12-13,21H,3-4,7-9H2,1-2H3,(H,17,18)/t12-,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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))	BDBM408842 (US10364255, Ex. 33) Show SMILES C[C@@H]1CNc2ncc(cc2O1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C18H20N4O2/c1-12-9-20-17-16(24-12)8-15(10-21-17)18(23)22-7-4-14(11-22)13-2-5-19-6-3-13/h2-3,5-6,8,10,12,14H,4,7,9,11H2,1H3,(H,20,21)/t12-,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	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))	BDBM408813 (US10364255, Ex. 5) Show SMILES CC[C@H]1COc2cc(cnc2N1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C19H22N4O2/c1-2-16-12-25-17-9-15(10-21-18(17)22-16)19(24)23-8-5-14(11-23)13-3-6-20-7-4-13/h3-4,6-7,9-10,14,16H,2,5,8,11-12H2,1H3,(H,21,22)/t14?,16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	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))	BDBM408838 (US10364255, Ex. 29) Show SMILES C[C@@H]1COc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C16H22N4O3/c1-10-9-23-14-6-12(7-17-15(14)18-10)16(22)20-5-4-13(8-20)19(3)11(2)21/h6-7,10,13H,4-5,8-9H2,1-3H3,(H,17,18)/t10-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	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))	BDBM408809 (US10364255, Ex. 1) Show SMILES CC[C@@H]1COc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C17H24N4O3/c1-4-13-10-24-15-7-12(8-18-16(15)19-13)17(23)21-6-5-14(9-21)20(3)11(2)22/h7-8,13-14H,4-6,9-10H2,1-3H3,(H,18,19)/t13-,14+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	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))	BDBM408843 (US10364255, Ex. 34) Show SMILES C[C@H]1CNc2ncc(cc2O1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C18H20N4O2/c1-12-9-20-17-16(24-12)8-15(10-21-17)18(23)22-7-4-14(11-22)13-2-5-19-6-3-13/h2-3,5-6,8,10,12,14H,4,7,9,11H2,1H3,(H,20,21)/t12-,14?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	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))	BDBM408810 (US10364255, Ex. 2) Show SMILES CC(C)[C@@H]1COc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C18H26N4O3/c1-11(2)15-10-25-16-7-13(8-19-17(16)20-15)18(24)22-6-5-14(9-22)21(4)12(3)23/h7-8,11,14-15H,5-6,9-10H2,1-4H3,(H,19,20)/t14-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	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))	BDBM408851 (US10364255, Ex. 43) Show SMILES OC[C@@H]1CNc2ncc(cc2O1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C18H20N4O3/c23-11-15-9-21-17-16(25-15)7-14(8-20-17)18(24)22-6-3-13(10-22)12-1-4-19-5-2-12/h1-2,4-5,7-8,13,15,23H,3,6,9-11H2,(H,20,21)/t13?,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	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))	BDBM408837 (US10364255, Ex. 28) Show SMILES C[C@@H]1COc2cc(cnc2N1)C(=O)N1CCC(C1)c1cccnc1 |r| Show InChI InChI=1S/C18H20N4O2/c1-12-11-24-16-7-15(9-20-17(16)21-12)18(23)22-6-4-14(10-22)13-3-2-5-19-8-13/h2-3,5,7-9,12,14H,4,6,10-11H2,1H3,(H,20,21)/t12-,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	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))	BDBM408832 (US10364255, Ex. 23) Show SMILES CN1C(=O)CC[C@]11CCN(C1)C(=O)c1cnc2NC3(CC3)CCOc2c1 |r| Show InChI InChI=1S/C19H24N4O3/c1-22-15(24)2-3-19(22)6-8-23(12-19)17(25)13-10-14-16(20-11-13)21-18(4-5-18)7-9-26-14/h10-11H,2-9,12H2,1H3,(H,20,21)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	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))	BDBM408847 (US10364255, Ex. 39) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NCCOc2c1)C(C)=O |r| Show InChI InChI=1S/C15H20N4O3/c1-10(20)18(2)12-3-5-19(9-12)15(21)11-7-13-14(17-8-11)16-4-6-22-13/h7-8,12H,3-6,9H2,1-2H3,(H,16,17)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10	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))	BDBM408814 (US10364255, Ex. 6) Show SMILES CC[C@@H]1COc2cc(cnc2N1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C19H22N4O2/c1-2-16-12-25-17-9-15(10-21-18(17)22-16)19(24)23-8-5-14(11-23)13-3-6-20-7-4-13/h3-4,6-7,9-10,14,16H,2,5,8,11-12H2,1H3,(H,21,22)/t14?,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	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))	BDBM408846 (US10364255, Ex. 38) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2NCCOc2c1 Show InChI InChI=1S/C17H18N4O2/c22-17(14-9-15-16(20-10-14)19-6-8-23-15)21-7-3-13(11-21)12-1-4-18-5-2-12/h1-2,4-5,9-10,13H,3,6-8,11H2,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.2	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))	BDBM408816 (US10364255, Ex. 8) Show SMILES CC(C)[C@@H]1COc2cc(cnc2N1)C(=O)N1CCC(C1)c1ccncc1 |r| Show InChI InChI=1S/C20H24N4O2/c1-13(2)17-12-26-18-9-16(10-22-19(18)23-17)20(25)24-8-5-15(11-24)14-3-6-21-7-4-14/h3-4,6-7,9-10,13,15,17H,5,8,11-12H2,1-2H3,(H,22,23)/t15?,17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.2	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))	BDBM408819 (US10364255, Ex. 11 | US10364255, Ex. 12) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2N[C@H](COc2c1)c1ccccc1 |r| Show InChI InChI=1S/C23H22N4O2/c28-23(27-11-8-18(14-27)16-6-9-24-10-7-16)19-12-21-22(25-13-19)26-20(15-29-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,18,20H,8,11,14-15H2,(H,25,26)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	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))	BDBM408844 (US10364255, Ex. 35) Show SMILES C[C@H]1CNc2ncc(cc2O1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C16H22N4O3/c1-10-7-17-15-14(23-10)6-12(8-18-15)16(22)20-5-4-13(9-20)19(3)11(2)21/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,17,18)/t10-,13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26.1	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))	BDBM408840 (US10364255, Ex. 31) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@@H](COc2c1)c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C21H24N4O3/c1-14(26)24(2)17-8-9-25(12-17)21(27)16-10-19-20(22-11-16)23-18(13-28-19)15-6-4-3-5-7-15/h3-7,10-11,17-18H,8-9,12-13H2,1-2H3,(H,22,23)/t17-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+3	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))	BDBM408811 (US10364255, Ex. 3) Show SMILES O=C(N1CCCCC1)c1cnc2NCCOc2c1 Show InChI InChI=1S/C13H17N3O2/c17-13(16-5-2-1-3-6-16)10-8-11-12(15-9-10)14-4-7-18-11/h8-9H,1-7H2,(H,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80E+3	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))	BDBM408815 (US10364255, Ex. 7) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2N[C@@H](COc2c1)c1ccccc1 |r| Show InChI InChI=1S/C23H22N4O2/c28-23(27-11-8-18(14-27)16-6-9-24-10-7-16)19-12-21-22(25-13-19)26-20(15-29-21)17-4-2-1-3-5-17/h1-7,9-10,12-13,18,20H,8,11,14-15H2,(H,25,26)/t18?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20E+3	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