Found 12 hits of ic50 for UniProtKB: P61964 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50208354
(CHEMBL3884329)Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)CCCN)cc1 Show InChI InChI=1S/C29H34ClFN6O2/c1-18-27(30)22(17-23(33)28(18)31)29(39)35-24-16-20(7-10-25(24)37-14-12-36(2)13-15-37)19-5-8-21(9-6-19)34-26(38)4-3-11-32/h5-10,16-17H,3-4,11-15,32-33H2,1-2H3,(H,34,38)(H,35,39) | PDB
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| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay |
Eur J Med Chem 124: 480-489 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50164787
(CHEMBL3798088)Show SMILES CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@](C)(CCCCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C |r| Show InChI InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1 | PDB
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CHEMBL
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| Article
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of His-SUMO-fused MLL1 (3762 to 3969 residues) interaction with His-SUMO-fused ASH2L/RBBP5/WDR5 (23 to 334 residues) (unknown origin) expr... |
Bioorg Med Chem 24: 6109-6118 (2016)
Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50164787
(CHEMBL3798088)Show SMILES CC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@](C)(CCCCNC(=O)[C@H](NC1=O)c1ccccc1)NC(=O)C(C)C |r| Show InChI InChI=1S/C29H46N8O5/c1-5-20-24(39)36-22(19-12-7-6-8-13-19)26(41)32-16-10-9-15-29(4,37-23(38)18(2)3)27(42)35-21(25(40)34-20)14-11-17-33-28(30)31/h6-8,12-13,18,20-22H,5,9-11,14-17H2,1-4H3,(H,32,41)(H,34,40)(H,35,42)(H,36,39)(H,37,38)(H4,30,31,33)/t20-,21-,22+,29+/m0/s1 | PDB
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CHEMBL
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| Article
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant SUMO-fused MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) expressed in Escherichia coli ... |
Eur J Med Chem 124: 480-489 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50208353
(CHEMBL3884726)Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(NC(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C31H36ClFN6O2/c1-19-28(32)24(18-25(34)29(19)33)31(41)37-26-17-22(5-8-27(26)39-15-13-38(2)14-16-39)20-3-6-23(7-4-20)36-30(40)21-9-11-35-12-10-21/h3-8,17-18,21,35H,9-16,34H2,1-2H3,(H,36,40)(H,37,41) | PDB
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| Article
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay |
Eur J Med Chem 124: 480-489 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM200723
(US9233086, 10L)Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1 | PDB
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PC cid
PC sid
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| Article
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant SUMO-fused MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) expressed in Escherichia coli ... |
Eur J Med Chem 124: 480-489 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM200723
(US9233086, 10L)Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1 | PDB
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| Article
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of His-SUMO-fused MLL1 (3762 to 3969 residues) interaction with His-SUMO-fused ASH2L/RBBP5/WDR5 (23 to 334 residues) (unknown origin) expr... |
Bioorg Med Chem 24: 6109-6118 (2016)
Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM200723
(US9233086, 10L)Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay |
Eur J Med Chem 124: 480-489 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM200723
(US9233086, 10L)Show SMILES CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCC1)C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C35H49F2N7O4/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40)/t27-/m0/s1 | PDB
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PC cid
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| Article
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MLL1 (unknown origin) interaction with recombinant ASH2L/RBBP5/WDR5 (unknown origin) assessed as decrease in histone methyl... |
Bioorg Med Chem 24: 6109-6118 (2016)
Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50208372
(CHEMBL3885241)Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-c1ccc(N)cc1 Show InChI InChI=1S/C25H27ClFN5O/c1-15-23(26)19(14-20(29)24(15)27)25(33)30-21-13-17(16-3-6-18(28)7-4-16)5-8-22(21)32-11-9-31(2)10-12-32/h3-8,13-14H,9-12,28-29H2,1-2H3,(H,30,33) | PDB
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| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MLL1/ASH2L/RBBP5/WDR5 complex histone methyltransferase activity (unknown origin) by AlphaScreen assay |
Eur J Med Chem 124: 480-489 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.036
BindingDB Entry DOI: 10.7270/Q2251M6G |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50195362
(CHEMBL3907289)Show SMILES COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1 Show InChI InChI=1S/C21H24ClFN4O3/c1-12-18(22)14(11-15(24)19(12)23)20(28)25-16-10-13(21(29)30-3)4-5-17(16)27-8-6-26(2)7-9-27/h4-5,10-11H,6-9,24H2,1-3H3,(H,25,28) | PDB
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| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MLL1 (unknown origin) interaction with recombinant ASH2L/RBBP5/WDR5 (unknown origin) assessed as decrease in histone methyl... |
Bioorg Med Chem 24: 6109-6118 (2016)
Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM50195432
(CHEMBL3957478)Show SMILES CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)C(=O)Oc1ccccc1 Show InChI InChI=1S/C26H26ClFN4O3/c1-16-23(27)19(15-20(29)24(16)28)25(33)30-21-14-17(26(34)35-18-6-4-3-5-7-18)8-9-22(21)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13,29H2,1-2H3,(H,30,33) | PDB
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| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MLL1 (unknown origin) interaction with recombinant ASH2L/RBBP5/WDR5 (unknown origin) assessed as decrease in histone methyl... |
Bioorg Med Chem 24: 6109-6118 (2016)
Article DOI: 10.1016/j.bmc.2016.09.073
BindingDB Entry DOI: 10.7270/Q2F47R4K |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase 2A/Retinoblastoma-binding protein 5/Set1/Ash2 histone methyltransferase complex subunit ASH2/WD repeat-containing protein 5
(Homo sapiens (Human)) | BDBM225230
(EED226 | US11013745, Compound EED226)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19) | PDB
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| Article
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
| Assay Description
All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383]. |
Nat Chem Biol 13: 381-388 (2017)
Article DOI: 10.1038/nchembio.2304
BindingDB Entry DOI: 10.7270/Q2S75F64 |
More data for this
Ligand-Target Pair | |
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