Compile Data Set for Download or QSAR

Found 344 hits Enz. Inhib. hit(s) with all data for entry = 3239   

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))	BDBM394655 (US10308615, Example 12 | preparation of {2-[(pyrid...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25)	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
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394660 (US10308615, Example 17 | preparation of [3-(methyl...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H17N5O3S/c1-28(26,27)16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395062 ((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...) Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395062 ((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...) Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)	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
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394659 (US10308615, Example 16 | preparation of (2-{[1-(py...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-12(6-14)16(28)13-7-25-17(26-8-13)27-18(4-5-18)15-9-23-11-24-10-15/h1-3,6-11H,4-5H2,(H,25,26,27)	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
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394660 (US10308615, Example 17 | preparation of [3-(methyl...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H17N5O3S/c1-28(26,27)16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24)	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
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394655 (US10308615, Example 12 | preparation of {2-[(pyrid...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25)	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
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394656 (US10308615, Example 13 | [3-(methylsulfonyl)phenyl...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)16-6-2-5-14(8-16)17(23)15-11-21-18(22-12-15)20-10-13-4-3-7-19-9-13/h2-9,11-12H,10H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394645 (3-[(2-{[1-(pyridin-3-yl)cyclopropyl]amino}pyrimidi...) Show SMILES O=C(c1cnc(NC2(CC2)c2cccnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C20H15N5O/c21-10-14-3-1-4-15(9-14)18(26)16-11-23-19(24-12-16)25-20(6-7-20)17-5-2-8-22-13-17/h1-5,8-9,11-13H,6-7H2,(H,23,24,25)	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
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394659 (US10308615, Example 16 | preparation of (2-{[1-(py...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)14-3-1-2-12(6-14)16(28)13-7-25-17(26-8-13)27-18(4-5-18)15-9-23-11-24-10-15/h1-3,6-11H,4-5H2,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394655 (US10308615, Example 12 | preparation of {2-[(pyrid...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H13F3N4O/c19-18(20,21)15-5-1-4-13(7-15)16(26)14-10-24-17(25-11-14)23-9-12-3-2-6-22-8-12/h1-8,10-11H,9H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395070 (US10308615, Example 81 | [4-fluoro-3- (trifluorome...) Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H12F4N4O/c19-15-4-3-12(6-14(15)18(20,21)22)16(27)13-9-25-17(26-10-13)24-8-11-2-1-5-23-7-11/h1-7,9-10H,8H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394648 (3-[(2-{[1-(pyrazin-2-yl)cyclopropyl]amino}pyrimidi...) Show SMILES O=C(c1cnc(NC2(CC2)c2cnccn2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C19H14N6O/c20-9-13-2-1-3-14(8-13)17(26)15-10-23-18(24-11-15)25-19(4-5-19)16-12-21-6-7-22-16/h1-3,6-8,10-12H,4-5H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394650 (3-[(2-{[1-(pyridin-3-yl)ethyl]amino}pyrimidin-5-yl...) Show SMILES CC(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1cccnc1 Show InChI InChI=1S/C19H15N5O/c1-13(16-6-3-7-21-10-16)24-19-22-11-17(12-23-19)18(25)15-5-2-4-14(8-15)9-20/h2-8,10-13H,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395107 (3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...) Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394644 (3-[(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimi...) Show SMILES O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C19H14N6O/c20-7-13-2-1-3-14(6-13)17(26)15-8-23-18(24-9-15)25-19(4-5-19)16-10-21-12-22-11-16/h1-3,6,8-12H,4-5H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395107 (3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...) Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)	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
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395108 (US10308615, Example 119 | {2-[(pyrimidin-5- ylmeth...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cncnc2)nc1 Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)14-3-1-2-12(4-14)15(26)13-8-24-16(25-9-13)23-7-11-5-21-10-22-6-11/h1-6,8-10H,7H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394654 (US10308615, Example 11 | {2-[(pyrazin-2-ylmethyl)a...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cnccn2)nc1 Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-11(6-13)15(26)12-7-23-16(24-8-12)25-10-14-9-21-4-5-22-14/h1-9H,10H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<6.20	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394654 (US10308615, Example 11 | {2-[(pyrazin-2-ylmethyl)a...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cnccn2)nc1 Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-11(6-13)15(26)12-7-23-16(24-8-12)25-10-14-9-21-4-5-22-14/h1-9H,10H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394644 (3-[(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimi...) Show SMILES O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C19H14N6O/c20-7-13-2-1-3-14(6-13)17(26)15-8-23-18(24-9-15)25-19(4-5-19)16-10-21-12-22-11-16/h1-3,6,8-12H,4-5H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394678 (4-[({5-[3- (trifluoromethyl) benzoyl]pyrimidin- 2-...) Show SMILES NC(=O)c1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H15F3N4O2/c21-20(22,23)16-3-1-2-14(8-16)17(28)15-10-26-19(27-11-15)25-9-12-4-6-13(7-5-12)18(24)29/h1-8,10-11H,9H2,(H2,24,29)(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394673 (3-({2-[(4- chlorobenzyl)amino] pyrimidin-5- yl}car...) Show SMILES Clc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C19H13ClN4O/c20-17-6-4-13(5-7-17)10-22-19-23-11-16(12-24-19)18(25)15-3-1-2-14(8-15)9-21/h1-8,11-12H,10H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394654 (US10308615, Example 11 | {2-[(pyrazin-2-ylmethyl)a...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cnccn2)nc1 Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)13-3-1-2-11(6-13)15(26)12-7-23-16(24-8-12)25-10-14-9-21-4-5-22-14/h1-9H,10H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395110 (US10308615, Example 121 | {2-[(2- phenylpropan-2- ...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(c1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C21H18F3N3O/c1-20(2,16-8-4-3-5-9-16)27-19-25-12-15(13-26-19)18(28)14-7-6-10-17(11-14)21(22,23)24/h3-13H,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395077 (US10308615, Example 88 | {6-[(4- methoxybenzyl) am...) Show SMILES COc1ccc(CNc2ccc(nn2)C(=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16F3N3O2/c1-28-16-7-5-13(6-8-16)12-24-18-10-9-17(25-26-18)19(27)14-3-2-4-15(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394663 (US10308615, Example 19 | US10308615, Example 20 | ...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2cncnc2)nc1 Show InChI InChI=1S/C17H15N5O3S/c1-26(24,25)15-4-2-3-13(5-15)16(23)14-9-21-17(22-10-14)20-8-12-6-18-11-19-7-12/h2-7,9-11H,8H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394648 (3-[(2-{[1-(pyrazin-2-yl)cyclopropyl]amino}pyrimidi...) Show SMILES O=C(c1cnc(NC2(CC2)c2cnccn2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C19H14N6O/c20-9-13-2-1-3-14(8-13)17(26)15-10-23-18(24-11-15)25-19(4-5-19)16-12-21-6-7-22-16/h1-3,6-8,10-12H,4-5H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395118 (3-({2-[(1- phenylcyclobutyl) amino]pyrimidin- 5- y...) Show SMILES O=C(c1cnc(NC2(CCC2)c2ccccc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C22H18N4O/c23-13-16-6-4-7-17(12-16)20(27)18-14-24-21(25-15-18)26-22(10-5-11-22)19-8-2-1-3-9-19/h1-4,6-9,12,14-15H,5,10-11H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394652 ((−)-4-(1-{[5-(3-cyanobenzoyl)pyrimidin-2-yl]...) Show SMILES C[C@@H](Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C21H17N5O2/c1-13(15-5-7-16(8-6-15)20(23)28)26-21-24-11-18(12-25-21)19(27)17-4-2-3-14(9-17)10-22/h2-9,11-13H,1H3,(H2,23,28)(H,24,25,26)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395055 (US10308615, Example 66 | {2-[(1- phenylcyclopropyl...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16F3N3O/c22-21(23,24)17-8-4-5-14(11-17)18(28)15-12-25-19(26-13-15)27-20(9-10-20)16-6-2-1-3-7-16/h1-8,11-13H,9-10H2,(H,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395062 ((2-{[(6- methylpyridin-3- yl)methyl]amino} pyrimid...) Show SMILES Cc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C(F)(F)F)cn1 Show InChI InChI=1S/C19H15F3N4O/c1-12-5-6-13(8-23-12)9-24-18-25-10-15(11-26-18)17(27)14-3-2-4-16(7-14)19(20,21)22/h2-8,10-11H,9H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395107 (3-({2-[(pyridin-3- ylmethyl)amino] pyrimidin-5- yl...) Show SMILES O=C(c1cnc(NCc2cccnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C18H13N5O/c19-8-13-3-1-5-15(7-13)17(24)16-11-22-18(23-12-16)21-10-14-4-2-6-20-9-14/h1-7,9,11-12H,10H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395108 (US10308615, Example 119 | {2-[(pyrimidin-5- ylmeth...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)c1cnc(NCc2cncnc2)nc1 Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)14-3-1-2-12(4-14)15(26)13-8-24-16(25-9-13)23-7-11-5-21-10-22-6-11/h1-6,8-10H,7H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394669 ((3-chlorophenyl){2- [(2-phenylpropan-2- yl)amino]p...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(Cl)c1)c1ccccc1 Show InChI InChI=1S/C20H18ClN3O/c1-20(2,16-8-4-3-5-9-16)24-19-22-12-15(13-23-19)18(25)14-7-6-10-17(21)11-14/h3-13H,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395054 (3-({2-[(1- phenylcyclopropyl) amino]pyrimidin- 5- ...) Show SMILES O=C(c1cccc(c1)C#N)c1cnc(NC2(CC2)c2ccccc2)nc1 Show InChI InChI=1S/C21H16N4O/c22-12-15-5-4-6-16(11-15)19(26)17-13-23-20(24-14-17)25-21(9-10-21)18-7-2-1-3-8-18/h1-8,11,13-14H,9-10H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394662 ((3-methoxyphenyl)(2-{[1-(pyrimidin-5-yl)cyclopropy...) Show SMILES COc1cccc(c1)C(=O)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C19H17N5O2/c1-26-16-4-2-3-13(7-16)17(25)14-8-22-18(23-9-14)24-19(5-6-19)15-10-20-12-21-11-15/h2-4,7-12H,5-6H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395118 (3-({2-[(1- phenylcyclobutyl) amino]pyrimidin- 5- y...) Show SMILES O=C(c1cnc(NC2(CCC2)c2ccccc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C22H18N4O/c23-13-16-6-4-7-17(12-16)20(27)18-14-24-21(25-15-18)26-22(10-5-11-22)19-8-2-1-3-9-19/h1-4,6-9,12,14-15H,5,10-11H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395133 (3-[(6-{[1- (pyrimidin-5- yl)ethyl]amino} pyridin-3...) Show SMILES CC(Nc1ccc(cn1)C(=O)c1cccc(c1)C#N)c1cncnc1 Show InChI InChI=1S/C19H15N5O/c1-13(17-9-21-12-22-10-17)24-18-6-5-16(11-23-18)19(25)15-4-2-3-14(7-15)8-20/h2-7,9-13H,1H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.5	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394657 ((3-methylphenyl){2-[(pyridin-3-ylmethyl)amino]pyri...) Show SMILES Cc1cccc(c1)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H16N4O/c1-13-4-2-6-15(8-13)17(23)16-11-21-18(22-12-16)20-10-14-5-3-7-19-9-14/h2-9,11-12H,10H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<13	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394646 (3-({2-[(2-phenylpropan-2-yl)amino]pyrimidin-5-yl}c...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccccc1 Show InChI InChI=1S/C21H18N4O/c1-21(2,18-9-4-3-5-10-18)25-20-23-13-17(14-24-20)19(26)16-8-6-7-15(11-16)12-22/h3-11,13-14H,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.6	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394676 (3-({2-[(4- fluorobenzyl) amino]pyrimidin-5- yl}car...) Show SMILES Fc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)cc1 Show InChI InChI=1S/C19H13FN4O/c20-17-6-4-13(5-7-17)10-22-19-23-11-16(12-24-19)18(25)15-3-1-2-14(8-15)9-21/h1-8,11-12H,10H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395085 (US10308615, Example 96 | {2-[(4- fluorobenzyl) ami...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2ccc(F)cc2)nc1 Show InChI InChI=1S/C19H16FN3O3S/c1-27(25,26)17-4-2-3-14(9-17)18(24)15-11-22-19(23-12-15)21-10-13-5-7-16(20)8-6-13/h2-9,11-12H,10H2,1H3,(H,21,22,23)	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
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394677 (3-({2-[(2- chlorobenzyl) amino]pyrimidin-5- yl}car...) Show SMILES Clc1ccccc1CNc1ncc(cn1)C(=O)c1cccc(c1)C#N Show InChI InChI=1S/C19H13ClN4O/c20-17-7-2-1-5-15(17)10-22-19-23-11-16(12-24-19)18(25)14-6-3-4-13(8-14)9-21/h1-8,11-12H,10H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394646 (3-({2-[(2-phenylpropan-2-yl)amino]pyrimidin-5-yl}c...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1ccccc1 Show InChI InChI=1S/C21H18N4O/c1-21(2,18-9-4-3-5-10-18)25-20-23-13-17(14-24-20)19(26)16-8-6-7-15(11-16)12-22/h3-11,13-14H,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395122 (3-[(2-{[1- (pyrimidin-5- yl)ethyl]amino} pyrimidin...) Show SMILES CC(Nc1ncc(cn1)C(=O)c1cccc(c1)C#N)c1cncnc1 Show InChI InChI=1S/C18H14N6O/c1-12(15-7-20-11-21-8-15)24-18-22-9-16(10-23-18)17(25)14-4-2-3-13(5-14)6-19/h2-5,7-12H,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395044 (US10308615, Example 55 | {2-[(4- methoxybenzyl) am...) Show SMILES COc1ccc(CNc2ncc(cn2)C(=O)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H16F3N3O2/c1-28-17-8-2-13(3-9-17)10-24-19-25-11-15(12-26-19)18(27)14-4-6-16(7-5-14)20(21,22)23/h2-9,11-12H,10H2,1H3,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16.5	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395109 (3-({2-[(pyrimidin- 5- ylmethyl)amino] pyrimidin-5-...) Show SMILES O=C(c1cnc(NCc2cncnc2)nc1)c1cccc(c1)C#N Show InChI InChI=1S/C17H12N6O/c18-5-12-2-1-3-14(4-12)16(24)15-9-22-17(23-10-15)21-8-13-6-19-11-20-7-13/h1-4,6-7,9-11H,8H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.6	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM394675 (3-({2-[(2,4- difluorobenzyl) amino]pyrimidin-5- yl...) Show SMILES Fc1ccc(CNc2ncc(cn2)C(=O)c2cccc(c2)C#N)c(F)c1 Show InChI InChI=1S/C19H12F2N4O/c20-16-5-4-14(17(21)7-16)9-23-19-24-10-15(11-25-19)18(26)13-3-1-2-12(6-13)8-22/h1-7,10-11H,9H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.8	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395070 (US10308615, Example 81 | [4-fluoro-3- (trifluorome...) Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)c1cnc(NCc2cccnc2)nc1 Show InChI InChI=1S/C18H12F4N4O/c19-15-4-3-12(6-14(15)18(20,21)22)16(27)13-9-25-17(26-10-13)24-8-11-2-1-5-23-7-11/h1-7,9-10H,8H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>16.9	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair

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