Compile Data Set for Download or QSAR
Found 58 for UniProtKB: Q969U6
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552984(4-(difluoromethyl)-N-[4- fluoro-5-(2-morpholin-4- ...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 36nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552953(N-[4-fluoro-5-(2- morpholin-4-ylpyrimidin- 5-yl)-2...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 43nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552953(N-[4-fluoro-5-(2- morpholin-4-ylpyrimidin- 5-yl)-2...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 43nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552952(N-[2-[(3S)-3,4- dimethylpiperazin-1-yl]- 4-fluoro-...)
Show SMILES C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 54nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552981(N-[5-(2-cyanopyrimidin- 5-yl)-4-fluoro-2-[(3S,5R)-...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)C#N
Affinity DataIC50: 75nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552987(N-[2-[(3R)-3- (dimethylamino)pyrrolidin- 1-yl]-4-f...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 106nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552982(N-[4-fluoro-5-(6- morpholin-4-ylpyridin-3- yl)-2-[...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(nc1)N1CCOCC1
Affinity DataIC50: 111nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552989(N-[5-[6- (cyclopropylmethoxy) pyridin-3-yl]-4-fluo...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(OCC2CC2)nc1
Affinity DataIC50: 174nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552978(N-[4-fluoro-5-(4- morpholin-4-ylphenyl)-2- [(3R,5S...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(cc1)N1CCOCC1
Affinity DataIC50: 182nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552966(4-(difluoromethyl)-N-[4- fluoro-2-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)F)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H28F3N7O3/c1-34-2-4-35(5-3-34)22-12-20(27)17(16-13-31-26(32-14-16)36-6-8-39-9-7-36)10-21(22)33-25(38)19-15-30-23(37)11-18(19)24(28)29/h10-15,24H,2-9H2,1H3,(H,30,37)(H,33,38)
Affinity DataIC50: 213nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552948(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- (2-morp...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H27F4N7O3/c1-35-2-4-36(5-3-35)22-12-20(27)17(16-13-32-25(33-14-16)37-6-8-40-9-7-37)10-21(22)34-24(39)18-15-31-23(38)11-19(18)26(28,29)30/h10-15H,2-9H2,1H3,(H,31,38)(H,34,39)
Affinity DataIC50: 272nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552967(N-[2-[3-(dimethylamino) pyrrolidin-1-yl]-4-fluoro-...)
Show SMILES CN(C)C1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 272nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552986(N-[4-fluoro-5-pyridin-4- yl-2-[(3R,5S)-3,4,5- trim...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccncc1
Affinity DataIC50: 316nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552948(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- (2-morp...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H27F4N7O3/c1-35-2-4-36(5-3-35)22-12-20(27)17(16-13-32-25(33-14-16)37-6-8-40-9-7-37)10-21(22)34-24(39)18-15-31-23(38)11-19(18)26(28,29)30/h10-15H,2-9H2,1H3,(H,31,38)(H,34,39)
Affinity DataIC50: 380nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552962(N-[5-(2-cyanopyrimidin- 5-yl)-4-fluoro-2-(4- methy...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)C#N
Show InChI InChI=1S/C23H19F4N7O2/c1-33-2-4-34(5-3-33)19-8-17(24)14(13-10-29-20(9-28)30-11-13)6-18(19)32-22(36)15-12-31-21(35)7-16(15)23(25,26)27/h6-8,10-12H,2-5H2,1H3,(H,31,35)(H,32,36)
Affinity DataIC50: 467nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM553001((S)-N-(4-(3,4- dimethylpiperazin-1-yl)-6- fluoro-3...)
Show SMILES C[C@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Affinity DataIC50: 478nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552985(N-[4-fluoro-5-pyridin-3- yl-2-[(3R,5S)-3,4,5- trim...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccnc1
Affinity DataIC50: 620nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552990(N-[5-[2- (dimethylamino)pyrimidin- 5-yl]-4-fluoro-...)
Show SMILES CN(C)c1ncc(cn1)-c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1CCN(C)CC1
Show InChI InChI=1S/C24H25F4N7O2/c1-33(2)23-30-11-14(12-31-23)15-8-19(20(10-18(15)25)35-6-4-34(3)5-7-35)32-22(37)16-13-29-21(36)9-17(16)24(26,27)28/h8-13H,4-7H2,1-3H3,(H,29,36)(H,32,37)
Affinity DataIC50: 774nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552995(N-(4-(3,4-dimethylpiperazin- 1-yl)-6-fluoro-3'- (m...)
Show SMILES CC1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Affinity DataIC50: 780nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552949(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- (6-morp...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C27H28F4N6O3/c1-35-4-6-36(7-5-35)23-14-21(28)18(17-2-3-24(32-15-17)37-8-10-40-11-9-37)12-22(23)34-26(39)19-16-33-25(38)13-20(19)27(29,30)31/h2-3,12-16H,4-11H2,1H3,(H,33,38)(H,34,39)
Affinity DataIC50: 820nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM553006(N-(2-(4-methylpiperazin- 1-yl)-5-(2- morpholinopyr...)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C26H28F3N7O3/c1-34-4-6-35(7-5-34)22-3-2-17(18-14-31-25(32-15-18)36-8-10-39-11-9-36)12-21(22)33-24(38)19-16-30-23(37)13-20(19)26(27,28)29/h2-3,12-16H,4-11H2,1H3,(H,30,37)(H,33,38)
Affinity DataIC50: 864nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552951(N-[2-[(3R)-3,4- dimethylpiperazin-1-yl]- 4-fluoro-...)
Show SMILES C[C@@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 885nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552954(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- (2-pyrr...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCCC1
Show InChI InChI=1S/C26H27F4N7O2/c1-35-6-8-36(9-7-35)22-12-20(27)17(16-13-32-25(33-14-16)37-4-2-3-5-37)10-21(22)34-24(39)18-15-31-23(38)11-19(18)26(28,29)30/h10-15H,2-9H2,1H3,(H,31,38)(H,34,39)
Affinity DataIC50: 984nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552956(N-[5-[2-(cyclohexylamino) pyrimidin-5-yl]-4-fluoro...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(NC2CCCCC2)nc1
Show InChI InChI=1S/C28H31F4N7O2/c1-38-7-9-39(10-8-38)24-13-22(29)19(17-14-34-27(35-15-17)36-18-5-3-2-4-6-18)11-23(24)37-26(41)20-16-33-25(40)12-21(20)28(30,31)32/h11-16,18H,2-10H2,1H3,(H,33,40)(H,37,41)(H,34,35,36)
Affinity DataIC50: 993nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552980(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- [6-(oxa...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(OC2CCOCC2)nc1
Show InChI InChI=1S/C28H29F4N5O4/c1-36-6-8-37(9-7-36)24-14-22(29)19(17-2-3-26(34-15-17)41-18-4-10-40-11-5-18)12-23(24)35-27(39)20-16-33-25(38)13-21(20)28(30,31)32/h2-3,12-16,18H,4-11H2,1H3,(H,33,38)(H,35,39)
Affinity DataIC50: 1.00E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552983(N-[4-fluoro-5-(2- methylpyrimidin-5-yl)-2- [(3S,5R...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(C)nc1
Affinity DataIC50: 1.01E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM553002(N-(6-fluoro-3'- (morpholinomethyl)-4- ((3R,5S)-3,4...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Affinity DataIC50: 1.28E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552950(N-[5-(1,3-benzodioxol-5- yl)-4-fluoro-2-(4- methyl...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc2OCOc2c1
Show InChI InChI=1S/C25H22F4N4O4/c1-32-4-6-33(7-5-32)20-11-18(26)15(14-2-3-21-22(8-14)37-13-36-21)9-19(20)31-24(35)16-12-30-23(34)10-17(16)25(27,28)29/h2-3,8-12H,4-7,13H2,1H3,(H,30,34)(H,31,35)
Affinity DataIC50: 1.31E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552959(N-[5-[6-(cyclohexylamino) pyridin-3-yl]-4-fluoro-2...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(NC2CCCCC2)nc1
Show InChI InChI=1S/C29H32F4N6O2/c1-38-9-11-39(12-10-38)25-15-23(30)20(18-7-8-26(34-16-18)36-19-5-3-2-4-6-19)13-24(25)37-28(41)21-17-35-27(40)14-22(21)29(31,32)33/h7-8,13-17,19H,2-6,9-12H2,1H3,(H,34,36)(H,35,40)(H,37,41)
Affinity DataIC50: 1.49E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM553003(N-(4-(3-(dimethylamino) pyrrolidin-1-yl)-6-fluoro-...)
Show SMILES CN(C)C1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Affinity DataIC50: 1.49E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM553008(N-(5-(2- morpholinopyrimidin-5- yl)-2-((3R,5S)-3,4...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 1.57E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552994(N-(3'-((cyclopentylamino) methyl)-6-fluoro-4-(4- m...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CNC2CCCC2)c1
Show InChI InChI=1S/C30H33F4N5O2/c1-38-9-11-39(12-10-38)27-16-25(31)22(20-6-4-5-19(13-20)17-35-21-7-2-3-8-21)14-26(27)37-29(41)23-18-36-28(40)15-24(23)30(32,33)34/h4-6,13-16,18,21,35H,2-3,7-12,17H2,1H3,(H,36,40)(H,37,41)
Affinity DataIC50: 1.64E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552957(N-[5-(2-ethoxypyrimidin- 5-yl)-4-fluoro-2-(4- meth...)
Show SMILES CCOc1ncc(cn1)-c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1CCN(C)CC1
Show InChI InChI=1S/C24H24F4N6O3/c1-3-37-23-30-11-14(12-31-23)15-8-19(20(10-18(15)25)34-6-4-33(2)5-7-34)32-22(36)16-13-29-21(35)9-17(16)24(26,27)28/h8-13H,3-7H2,1-2H3,(H,29,35)(H,32,36)
Affinity DataIC50: 2.07E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552963(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- [2-(2,2...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C24H21F7N6O3/c1-36-2-4-37(5-3-36)19-8-17(25)14(13-9-33-22(34-10-13)40-12-23(26,27)28)6-18(19)35-21(39)15-11-32-20(38)7-16(15)24(29,30)31/h6-11H,2-5,12H2,1H3,(H,32,38)(H,35,39)
Affinity DataIC50: 2.07E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552996(N-(4-fluoro-2-(4- methylpiperazin-1-yl)-5- (2-morp...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccnc(c1)N1CCOCC1
Show InChI InChI=1S/C27H28F4N6O3/c1-35-4-6-36(7-5-35)23-15-21(28)18(17-2-3-32-24(12-17)37-8-10-40-11-9-37)13-22(23)34-26(39)19-16-33-25(38)14-20(19)27(29,30)31/h2-3,12-16H,4-11H2,1H3,(H,33,38)(H,34,39)
Affinity DataIC50: 2.29E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552933(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- [3-(mor...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C29H31F4N5O3/c1-36-5-7-38(8-6-36)26-16-24(30)21(20-4-2-3-19(13-20)18-37-9-11-41-12-10-37)14-25(26)35-28(40)22-17-34-27(39)15-23(22)29(31,32)33/h2-4,13-17H,5-12,18H2,1H3,(H,34,39)(H,35,40)
Affinity DataIC50: 2.71E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552933(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- [3-(mor...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C29H31F4N5O3/c1-36-5-7-38(8-6-36)26-16-24(30)21(20-4-2-3-19(13-20)18-37-9-11-41-12-10-37)14-25(26)35-28(40)22-17-34-27(39)15-23(22)29(31,32)33/h2-4,13-17H,5-12,18H2,1H3,(H,34,39)(H,35,40)
Affinity DataIC50: 2.71E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552977(4-fluoro-N-[4-fluoro-5- (2-morpholin-4- ylpyrimidi...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1cc(C)c(F)c(C)c1)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C30H36F2N6O2/c1-18-10-22(11-19(2)28(18)32)29(39)35-26-12-24(23-14-33-30(34-15-23)37-6-8-40-9-7-37)25(31)13-27(26)38-16-20(3)36(5)21(4)17-38/h10-15,20-21H,6-9,16-17H2,1-5H3,(H,35,39)/t20-,21+
Affinity DataIC50: 2.74E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552971(4-fluoro-N-[4-fluoro-5- (2-morpholin-4- ylpyrimidi...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C)c1cc(F)c(cc1NC(=O)c1ccc(F)c(C)c1)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C29H34F2N6O2/c1-18-11-21(5-6-24(18)30)28(38)34-26-12-23(22-14-32-29(33-15-22)36-7-9-39-10-8-36)25(31)13-27(26)37-16-19(2)35(4)20(3)17-37/h5-6,11-15,19-20H,7-10,16-17H2,1-4H3,(H,34,38)/t19-,20+
Affinity DataIC50: 3.34E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552965(N-[5-(2,4- dimethoxypyrimidin-5- yl)-4-fluoro-2-(4...)
Show SMILES COc1ncc(c(OC)n1)-c1cc(NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)c(cc1F)N1CCN(C)CC1
Show InChI InChI=1S/C24H24F4N6O4/c1-33-4-6-34(7-5-33)19-10-17(25)13(14-11-30-23(38-3)32-22(14)37-2)8-18(19)31-21(36)15-12-29-20(35)9-16(15)24(26,27)28/h8-12H,4-7H2,1-3H3,(H,29,35)(H,31,36)
Affinity DataIC50: 3.67E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552991(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- [6-(mor...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(CN2CCOCC2)nc1
Show InChI InChI=1S/C28H30F4N6O3/c1-36-4-6-38(7-5-36)25-14-23(29)20(18-2-3-19(33-15-18)17-37-8-10-41-11-9-37)12-24(25)35-27(40)21-16-34-26(39)13-22(21)28(30,31)32/h2-3,12-16H,4-11,17H2,1H3,(H,34,39)(H,35,40)
Affinity DataIC50: 4.91E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552968(N-[5-(3,6-dihydro-2H- pyran-4-yl)-4-fluoro-2- (4-m...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)C1=CCOCC1
Show InChI InChI=1S/C23H24F4N4O3/c1-30-4-6-31(7-5-30)20-12-18(24)15(14-2-8-34-9-3-14)10-19(20)29-22(33)16-13-28-21(32)11-17(16)23(25,26)27/h2,10-13H,3-9H2,1H3,(H,28,32)(H,29,33)
Affinity DataIC50: 6.65E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552955(N-[5-[2-(cyclopropylamino) pyrimidin-5-yl]-4-fluor...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(NC2CC2)nc1
Show InChI InChI=1S/C25H25F4N7O2/c1-35-4-6-36(7-5-35)21-10-19(26)16(14-11-31-24(32-12-14)33-15-2-3-15)8-20(21)34-23(38)17-13-30-22(37)9-18(17)25(27,28)29/h8-13,15H,2-7H2,1H3,(H,30,37)(H,34,38)(H,31,32,33)
Affinity DataIC50: 8.36E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM553000((R)-N-(4-(3,4- dimethylpiperazin-1-yl)-6- fluoro-3...)
Show SMILES C[C@@H]1CN(CCN1C)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Affinity DataIC50: 9.41E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM50164794(CHEMBL3798846 | US11174250, Example Table4.1.1 | U...)
Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C29H32F3N5O3/c1-35-7-9-37(10-8-35)26-6-5-22(21-4-2-3-20(15-21)19-36-11-13-40-14-12-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-6,15-18H,7-14,19H2,1H3,(H,33,38)(H,34,39)
Affinity DataIC50: 9.50E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552958(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- (2-meth...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(C)nc1
Show InChI InChI=1S/C23H22F4N6O2/c1-13-28-10-14(11-29-13)15-7-19(20(9-18(15)24)33-5-3-32(2)4-6-33)31-22(35)16-12-30-21(34)8-17(16)23(25,26)27/h7-12H,3-6H2,1-2H3,(H,30,34)(H,31,35)
Affinity DataIC50: 9.53E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552964(N-[4-fluoro-2-(4- methylpiperazin-1-yl)-5- pyrimid...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cncnc1
Show InChI InChI=1S/C22H20F4N6O2/c1-31-2-4-32(5-3-31)19-8-17(23)14(13-9-27-12-28-10-13)6-18(19)30-21(34)15-11-29-20(33)7-16(15)22(24,25)26/h6-12H,2-5H2,1H3,(H,29,33)(H,30,34)
Affinity DataIC50: 9.83E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552988(N-[2-[(3S)-3- (dimethylamino)pyrrolidin- 1-yl]-4-f...)
Show SMILES CN(C)[C@H]1CCN(C1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cnc(nc1)N1CCOCC1
Affinity DataIC50: 9.85E+3nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552998(N-(4-fluoro-2-(4- methylpiperazin-1-yl)-5- (5-(((t...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1cncc(CNC2CCOCC2)c1
Show InChI InChI=1S/C29H32F4N6O3/c1-38-4-6-39(7-5-38)26-13-24(30)21(19-10-18(14-34-16-19)15-35-20-2-8-42-9-3-20)11-25(26)37-28(41)22-17-36-27(40)12-23(22)29(31,32)33/h10-14,16-17,20,35H,2-9,15H2,1H3,(H,36,40)(H,37,41)
Affinity DataIC50: 1.12E+4nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMLL1-WRAD2 complex(Homo sapiens (Human))
Propellon Therapeutics Inc.

US Patent
LigandPNGBDBM552932(4-fluoro-N-[4-fluoro-2- (4-methylpiperazin-1-yl)- ...)
Show SMILES CN1CCN(CC1)c1cc(F)c(cc1NC(=O)c1cc(C)c(F)c(C)c1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C31H36F2N4O2/c1-21-15-25(16-22(2)30(21)33)31(38)34-28-18-26(27(32)19-29(28)37-9-7-35(3)8-10-37)24-6-4-5-23(17-24)20-36-11-13-39-14-12-36/h4-6,15-19H,7-14,20H2,1-3H3,(H,34,38)
Affinity DataIC50: 1.50E+4nMAssay Description:Compound potency was assessed through incorporation of 3H-SAM into oligonucleosomes purified from HeLa cells. Specifically, recombinant human MLL1 (a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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