Compile Data Set for Download or QSAR
Found 11 of affinity data for UniProtKB/TrEMBL: Q27783
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM585342(5-(4-(3-(2-ethylpyrimidin-5- yl)phenyl)piperidin-1...)
Show SMILES CCc1ncc(cn1)-c1cccc(c1)C1CCN(CC1)c1cnc(N)nc1N
Show InChI InChI=1S/C21H25N7/c1-2-19-24-11-17(12-25-19)16-5-3-4-15(10-16)14-6-8-28(9-7-14)18-13-26-21(23)27-20(18)22/h3-5,10-14H,2,6-9H2,1H3,(H4,22,23,26,27)
Affinity DataIC50: 0.891nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM66082((2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methy...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
Affinity DataIC50: 1.29nMAssay Description:TBDMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM50531785(CHEMBL4543226 | US11530198, Example 69)
Show SMILES Cc1ncc(cn1)-c1cccc(c1)N1CCN(CC1)c1cnc(N)nc1N
Show InChI InChI=1S/C19H22N8/c1-13-22-10-15(11-23-13)14-3-2-4-16(9-14)26-5-7-27(8-6-26)17-12-24-19(21)25-18(17)20/h2-4,9-12H,5-8H2,1H3,(H4,20,21,24,25)
Affinity DataIC50: 2nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM50531784(Fanotaprim | TRC-2533 | TRC-2533-NX | US11530198, ...)
Show SMILES COc1ncc(cn1)-c1cccc(c1)N1CCN(CC1)c1cnc(N)nc1N
Show InChI InChI=1S/C19H22N8O/c1-28-19-23-10-14(11-24-19)13-3-2-4-15(9-13)26-5-7-27(8-6-26)16-12-22-18(21)25-17(16)20/h2-4,9-12H,5-8H2,1H3,(H4,20,21,22,25)
Affinity DataIC50: 2.09nMAssay Description:TBDMore data for this Ligand-Target Pair
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM585326(5-(4-(3-(2-chloropyrimidin-5- yl)phenyl)piperazin-...)
Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cnc(Cl)nc2)c(N)n1
Show InChI InChI=1S/C18H19ClN8/c19-17-22-9-13(10-23-17)12-2-1-3-14(8-12)26-4-6-27(7-5-26)15-11-24-18(21)25-16(15)20/h1-3,8-11H,4-7H2,(H4,20,21,24,25)
Affinity DataIC50: 2.51nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM50531797(CHEMBL4550110 | US11530198, Example 86)
Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cnc(nc2)C2CC2)c(N)n1
Show InChI InChI=1S/C21H24N8/c22-19-18(13-26-21(23)27-19)29-8-6-28(7-9-29)17-3-1-2-15(10-17)16-11-24-20(25-12-16)14-4-5-14/h1-3,10-14H,4-9H2,(H4,22,23,26,27)
Affinity DataIC50: 2.51nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM585317(5-(4-(3-(2-ethylpyrimidin-5- yl)phenyl)piperazin-1...)
Show SMILES CCc1ncc(cn1)-c1cccc(c1)N1CCN(CC1)c1cnc(N)nc1N
Show InChI InChI=1S/C20H24N8/c1-2-18-23-11-15(12-24-18)14-4-3-5-16(10-14)27-6-8-28(9-7-27)17-13-25-20(22)26-19(17)21/h3-5,10-13H,2,6-9H2,1H3,(H4,21,22,25,26)
Affinity DataIC50: 3.80nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM50531786(CHEMBL4573445 | US11530198, Example 74)
Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cncnc2)c(N)n1
Show InChI InChI=1S/C18H20N8/c19-17-16(11-23-18(20)24-17)26-6-4-25(5-7-26)15-3-1-2-13(8-15)14-9-21-12-22-10-14/h1-3,8-12H,4-7H2,(H4,19,20,23,24)
Affinity DataIC50: 5.62nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM50531783(CHEMBL4591892 | US11530198, Example 87)
Show SMILES Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2cnc(nc2)C(F)(F)F)c(N)n1
Show InChI InChI=1S/C19H19F3N8/c20-19(21,22)17-25-9-13(10-26-17)12-2-1-3-14(8-12)29-4-6-30(7-5-29)15-11-27-18(24)28-16(15)23/h1-3,8-11H,4-7H2,(H4,23,24,27,28)
Affinity DataIC50: 7.41nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM50531779(CHEMBL4553229 | US11530198, Example 4)
Show SMILES Nc1ncc(N2CCN(CC2)c2ccccc2)c(N)n1
Show InChI InChI=1S/C14H18N6/c15-13-12(10-17-14(16)18-13)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H4,15,16,17,18)
Affinity DataIC50: 31.6nMAssay Description:TBDMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetBifunctional dihydrofolate reductase-thymidylate synthase(Trypanosoma brucei brucei)
Vyera Pharmaceuticals, LLC

US Patent
LigandPNGBDBM18512(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
Affinity DataIC50: 407nMAssay Description:TBDMore data for this Ligand-Target Pair