Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 9580   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	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 (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 (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))	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 (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))	BDBM475909 (US10864201, Ex. 13.3) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2N[C@](C)(CCc2c1)c1cncnc1)C(=O)C1CC1 |r| Show InChI InChI=1S/C23H28N6O2/c1-23(18-11-24-14-25-12-18)7-5-16-9-17(10-26-20(16)27-23)22(31)29-8-6-19(13-29)28(2)21(30)15-3-4-15/h9-12,14-15,19H,3-8,13H2,1-2H3,(H,26,27)/t19-,23+/m0/s1	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
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))	BDBM475889 (US10864201, Ex. 11.2) Show SMILES CC1(C)CCc2cc(cnc2N1)C(=O)N1CC2(C1)CCOCC2 Show InChI InChI=1S/C18H25N3O2/c1-17(2)4-3-13-9-14(10-19-15(13)20-17)16(22)21-11-18(12-21)5-7-23-8-6-18/h9-10H,3-8,11-12H2,1-2H3,(H,19,20)	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
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))	BDBM475901 (US10864201, Ex. 12.2) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(CCc2c1)c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C23H28N4O2/c1-16(28)26(3)20-10-12-27(15-20)22(29)18-13-17-9-11-23(2,25-21(17)24-14-18)19-7-5-4-6-8-19/h4-8,13-14,20H,9-12,15H2,1-3H3,(H,24,25)/t20-,23?/m0/s1	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
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))	BDBM475860 (US10864201, Ex. 5.1) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CCC2(C1)CCOCC2)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H26FN3O2/c1-22(18-2-4-19(24)5-3-18)13-16-12-17(14-25-20(16)26-22)21(28)27-9-6-23(15-27)7-10-29-11-8-23/h2-5,12,14H,6-11,13,15H2,1H3,(H,25,26)/t22-/m1/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 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))	BDBM475902 (US10864201, Ex. 12.3) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NCCCCc2c1)C(C)=O |r| Show InChI InChI=1S/C17H24N4O2/c1-12(22)20(2)15-6-8-21(11-15)17(23)14-9-13-5-3-4-7-18-16(13)19-10-14/h9-10,15H,3-8,11H2,1-2H3,(H,18,19)/t15-/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 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))	BDBM475898 (US10864201, Ex. 11.11) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1CC(F)(F)C1 |r| Show InChI InChI=1S/C21H28F2N4O2/c1-20(2)6-4-13-8-14(11-24-17(13)25-20)19(29)27-7-5-16(12-27)26(3)18(28)15-9-21(22,23)10-15/h8,11,15-16H,4-7,9-10,12H2,1-3H3,(H,24,25)/t16-/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 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))	BDBM475899 (US10864201, Ex. 11.12) Show SMILES CCC1(C)CCc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N(C)C(C)=O |r| Show InChI InChI=1S/C19H28N4O2/c1-5-19(3)8-6-14-10-15(11-20-17(14)21-19)18(25)23-9-7-16(12-23)22(4)13(2)24/h10-11,16H,5-9,12H2,1-4H3,(H,20,21)/t16-,19?/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 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))	BDBM475893 (US10864201, Ex. 11.6) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(C)=O |r| Show InChI InChI=1S/C18H26N4O2/c1-12(23)21(4)15-6-8-22(11-15)17(24)14-9-13-5-7-18(2,3)20-16(13)19-10-14/h9-10,15H,5-8,11H2,1-4H3,(H,19,20)/t15-/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 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))	BDBM475853 (US10864201, Ex. 2.4) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)C(=O)C1CC(F)(F)C1 |r| Show InChI InChI=1S/C20H26F2N4O2/c1-19(2)7-12-6-13(10-23-16(12)24-19)18(28)26-5-4-15(11-26)25(3)17(27)14-8-20(21,22)9-14/h6,10,14-15H,4-5,7-9,11H2,1-3H3,(H,23,24)/t15-/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 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))	BDBM475867 (US10864201, Ex. 5.6) Show SMILES C[C@@]1(Cc2cc(cnc2N1)C(=O)N1CC2(C1)CCOCC2)c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H24FN3O2/c1-21(17-2-4-18(23)5-3-17)11-15-10-16(12-24-19(15)25-21)20(27)26-13-22(14-26)6-8-28-9-7-22/h2-5,10,12H,6-9,11,13-14H2,1H3,(H,24,25)/t21-/m1/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 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))	BDBM475897 (US10864201, Ex. 11.10) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1CCC1 |r| Show InChI InChI=1S/C21H30N4O2/c1-21(2)9-7-15-11-16(12-22-18(15)23-21)20(27)25-10-8-17(13-25)24(3)19(26)14-5-4-6-14/h11-12,14,17H,4-10,13H2,1-3H3,(H,22,23)/t17-/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 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))	BDBM475895 (US10864201, Ex. 11.8) Show SMILES CC1(C)CCc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O |r| Show InChI InChI=1S/C19H26N4O2/c1-19(2)7-5-13-10-14(11-20-17(13)21-19)18(25)22-9-6-15(12-22)23-8-3-4-16(23)24/h10-11,15H,3-9,12H2,1-2H3,(H,20,21)/t15-/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 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))	BDBM475896 (US10864201, Ex. 11.9) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1CC1 |r| Show InChI InChI=1S/C20H28N4O2/c1-20(2)8-6-14-10-15(11-21-17(14)22-20)19(26)24-9-7-16(12-24)23(3)18(25)13-4-5-13/h10-11,13,16H,4-9,12H2,1-3H3,(H,21,22)/t16-/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 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))	BDBM475850 (US10864201, Ex. 2.1) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)C(=O)C1CCC1 |r| Show InChI InChI=1S/C20H28N4O2/c1-20(2)10-14-9-15(11-21-17(14)22-20)19(26)24-8-7-16(12-24)23(3)18(25)13-5-4-6-13/h9,11,13,16H,4-8,10,12H2,1-3H3,(H,21,22)/t16-/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 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))	BDBM475891 (US10864201, Ex. 11.4) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1(C)CCC1 |r| Show InChI InChI=1S/C22H32N4O2/c1-21(2)10-6-15-12-16(13-23-18(15)24-21)19(27)26-11-7-17(14-26)25(4)20(28)22(3)8-5-9-22/h12-13,17H,5-11,14H2,1-4H3,(H,23,24)/t17-/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 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))	BDBM475851 (US10864201, Ex. 2.2) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)C(=O)C1(CC1)C#N |r| Show InChI InChI=1S/C20H25N5O2/c1-19(2)9-13-8-14(10-22-16(13)23-19)17(26)25-7-4-15(11-25)24(3)18(27)20(12-21)5-6-20/h8,10,15H,4-7,9,11H2,1-3H3,(H,22,23)/t15-/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 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))	BDBM475906 (US10864201, Ex. 12.7) Show SMILES CC1(C)CCCc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O |r| Show InChI InChI=1S/C19H26N4O3/c1-19(2)6-3-4-13-10-14(11-20-16(13)21-19)17(24)22-7-5-15(12-22)23-8-9-26-18(23)25/h10-11,15H,3-9,12H2,1-2H3,(H,20,21)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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))	BDBM475884 (US10864201, Ex. 9.2) 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	1.40	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))	BDBM475846 (US10864201, Ex. 1.2) Show SMILES CC1(C)Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O |r| Show InChI InChI=1S/C18H24N4O2/c1-18(2)9-12-8-13(10-19-16(12)20-18)17(24)21-7-5-14(11-21)22-6-3-4-15(22)23/h8,10,14H,3-7,9,11H2,1-2H3,(H,19,20)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	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))	BDBM475904 (US10864201, Ex. 12.5) Show SMILES CC1(C)CCCc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCCC1=O |r| Show InChI InChI=1S/C20H28N4O2/c1-20(2)8-3-5-14-11-15(12-21-18(14)22-20)19(26)23-10-7-16(13-23)24-9-4-6-17(24)25/h11-12,16H,3-10,13H2,1-2H3,(H,21,22)/t16-/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 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))	BDBM475847 (US10864201, Ex. 1.3) Show SMILES CC1(C)Cc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O |r| Show InChI InChI=1S/C17H22N4O3/c1-17(2)8-11-7-12(9-18-14(11)19-17)15(22)20-4-3-13(10-20)21-5-6-24-16(21)23/h7,9,13H,3-6,8,10H2,1-2H3,(H,18,19)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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))	BDBM475888 (US10864201, Ex. 11.1) Show SMILES CC1(C)CCc2cc(cnc2N1)C(=O)N1CCC2(C1)CCOCC2 Show InChI InChI=1S/C19H27N3O2/c1-18(2)4-3-14-11-15(12-20-16(14)21-18)17(23)22-8-5-19(13-22)6-9-24-10-7-19/h11-12H,3-10,13H2,1-2H3,(H,20,21)	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 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))	BDBM475857 (US10864201, Ex. 4.2) 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	1.70	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))	BDBM475854 (US10864201, Ex. 2.5) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)C(=O)C1CC1 |r| Show InChI InChI=1S/C19H26N4O2/c1-19(2)9-13-8-14(10-20-16(13)21-19)18(25)23-7-6-15(11-23)22(3)17(24)12-4-5-12/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,20,21)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	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))	BDBM475855 (US10864201, Ex. 3.1) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)c1ncccn1 |r| Show InChI InChI=1S/C19H24N6O/c1-19(2)10-13-9-14(11-22-16(13)23-19)17(26)25-8-5-15(12-25)24(3)18-20-6-4-7-21-18/h4,6-7,9,11,15H,5,8,10,12H2,1-3H3,(H,22,23)/t15-/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 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))	BDBM475845 (US10864201, Ex. 1.1) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)C(C)=O |r| Show InChI InChI=1S/C17H24N4O2/c1-11(22)20(4)14-5-6-21(10-14)16(23)13-7-12-8-17(2,3)19-15(12)18-9-13/h7,9,14H,5-6,8,10H2,1-4H3,(H,18,19)/t14-/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 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))	BDBM475903 (US10864201, Ex. 12.4) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCCc2c1)C(C)=O |r| Show InChI InChI=1S/C19H28N4O2/c1-13(24)22(4)16-7-9-23(12-16)18(25)15-10-14-6-5-8-19(2,3)21-17(14)20-11-15/h10-11,16H,5-9,12H2,1-4H3,(H,20,21)/t16-/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 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))	BDBM475905 (US10864201, Ex. 12.6) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCCc2c1)C(=O)C1CC1 |r| Show InChI InChI=1S/C21H30N4O2/c1-21(2)9-4-5-15-11-16(12-22-18(15)23-21)20(27)25-10-8-17(13-25)24(3)19(26)14-6-7-14/h11-12,14,17H,4-10,13H2,1-3H3,(H,22,23)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	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))	BDBM475892 (US10864201, Ex. 11.5) Show SMILES CC1(C)CCc2cc(cnc2N1)C(=O)N1CC[C@@H](C1)N1CCOC1=O |r| Show InChI InChI=1S/C18H24N4O3/c1-18(2)5-3-12-9-13(10-19-15(12)20-18)16(23)21-6-4-14(11-21)22-7-8-25-17(22)24/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	4.30	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))	BDBM475852 (US10864201, Ex. 2.3) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)Cc2c1)C(=O)C1(C)CCC1 |r| Show InChI InChI=1S/C21H30N4O2/c1-20(2)11-14-10-15(12-22-17(14)23-20)18(26)25-9-6-16(13-25)24(4)19(27)21(3)7-5-8-21/h10,12,16H,5-9,11,13H2,1-4H3,(H,22,23)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	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))	BDBM475894 (US10864201, Ex. 11.7) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)CCc2c1)C(=O)C1(CC1)C#N |r| Show InChI InChI=1S/C21H27N5O2/c1-20(2)6-4-14-10-15(11-23-17(14)24-20)18(27)26-9-5-16(12-26)25(3)19(28)21(13-22)7-8-21/h10-11,16H,4-9,12H2,1-3H3,(H,23,24)/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	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))	BDBM475848 (US10864201, Ex. 1.4) Show SMILES CC1(C)Cc2cc(cnc2N1)C(=O)N1CCC2(C1)CCOCC2 Show InChI InChI=1S/C18H25N3O2/c1-17(2)10-13-9-14(11-19-15(13)20-17)16(22)21-6-3-18(12-21)4-7-23-8-5-18/h9,11H,3-8,10,12H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	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

Displayed 1 to 50 (of 57 total )  |  Next  |  Last  >>

Jump to: