Found 9 hits Enz. Inhib. hit(s) with all data for entry = 8384 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 |
|---|
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM244794
(US9446064, A75)Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:7.12,5.4,22.24,wD:24.27,8.8,10.11,(4.17,6.58,;2.69,6.98,;2.29,8.46,;1.35,6.21,;.02,6.98,;-1.31,6.21,;-1.31,4.67,;-2.78,4.19,;-3.68,5.44,;-5.22,5.44,;-2.78,6.68,;-3.55,8.02,;-3.55,2.86,;-2.64,1.61,;-3.55,.36,;-5.01,.84,;-6.35,.07,;-6.35,-1.47,;-7.68,.84,;-7.68,2.38,;-6.35,3.15,;-5.01,2.38,;1.75,4.72,;3.09,3.95,;2.32,2.61,;2.71,1.13,;4.2,.73,;4.6,-.76,;5.85,-1.66,;5.37,-3.13,;6.14,-4.46,;5.37,-5.8,;3.83,-5.8,;3.06,-4.46,;3.83,-3.13,;3.35,-1.66,;6.14,-7.13,;5.37,-8.46,;7.68,-7.13,;6.91,-8.46,;.98,3.38,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM244792
(US9446064, A5)Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(Cl)c(cc3[nH]2)C(F)(F)F)C1 |r,wU:24.27,22.24,5.4,7.12,wD:10.11,8.8,(-3.22,.18,;-1.89,.95,;-1.89,2.49,;-.55,.18,;.78,.95,;2.11,.18,;3.36,1.09,;4.61,.18,;4.13,-1.28,;4.9,-2.61,;2.59,-1.28,;1.82,-2.61,;5.38,1.52,;4.47,2.76,;5.38,4.01,;6.84,3.53,;8.17,4.3,;8.17,5.84,;9.51,3.53,;9.51,1.99,;8.17,1.22,;6.84,1.99,;-.55,-1.36,;-1.64,-2.44,;-.55,-3.53,;-.55,-5.07,;-1.89,-5.84,;-3.22,-5.07,;-3.24,-3.61,;-4.89,-3.22,;-5.66,-1.89,;-7.2,-1.89,;-7.97,-.55,;-7.97,-3.22,;-7.2,-4.56,;-5.66,-4.56,;-4.63,-5.7,;-9.51,-3.22,;-10.28,-1.89,;-10.28,-4.56,;-8.74,-4.56,;.54,-2.44,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM244795
(US9446064, A86)Show SMILES CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:5.10,3.2,wD:22.25,20.22,6.6,8.9,(-2.45,-1.08,;-2.84,.41,;-4.18,1.18,;-5.51,.41,;-5.51,-1.13,;-6.98,-1.6,;-7.88,-.36,;-9.42,-.36,;-6.98,.89,;-7.75,2.22,;-7.75,-2.94,;-6.84,-4.18,;-7.75,-5.43,;-9.21,-4.95,;-10.55,-5.72,;-10.55,-7.26,;-11.88,-4.95,;-11.88,-3.41,;-10.55,-2.64,;-9.21,-3.41,;-1.51,1.18,;-1.11,2.67,;.38,2.27,;1.71,3.04,;3.04,2.27,;4.38,3.04,;5.84,2.56,;6.75,3.81,;8.28,3.97,;8.9,5.38,;8,6.62,;6.47,6.46,;5.84,5.06,;4.38,4.58,;10.39,5.78,;11.48,4.69,;10.79,7.26,;11.88,6.18,;-.02,.78,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM244791
(US9446064, A3)Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:22.24,5.4,7.12,wD:24.27,10.11,8.8,(-3.22,.18,;-1.89,.95,;-1.89,2.49,;-.55,.18,;.78,.95,;2.11,.18,;3.36,1.09,;4.61,.18,;4.13,-1.28,;4.9,-2.61,;2.59,-1.28,;1.82,-2.61,;5.38,1.52,;4.47,2.76,;5.38,4.01,;6.84,3.53,;8.17,4.3,;8.17,5.84,;9.51,3.53,;9.51,1.99,;8.17,1.22,;6.84,1.99,;-.55,-1.36,;.54,-2.44,;-.55,-3.53,;-.55,-5.07,;-1.89,-5.84,;-3.22,-5.07,;-3.24,-3.61,;-4.89,-3.22,;-5.66,-1.89,;-7.2,-1.89,;-7.97,-3.22,;-7.2,-4.56,;-5.66,-4.56,;-4.63,-5.7,;-7.97,-.55,;-8.74,.78,;-9.51,-.55,;-7.2,.78,;-1.64,-2.44,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM50075098
(CHEMBL3414626 | US10143704, Compound A2 | US944606...)Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:24.27,22.24,10.11,8.8,wD:5.4,7.12,(-.55,4.43,;-1.02,5.57,;-2.24,5.73,;-.08,6.8,;1.45,6.59,;2.04,5.17,;1.23,3.86,;2.24,2.7,;3.65,3.27,;4.7,2.61,;3.54,4.8,;4.48,5.6,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.56,;-1.03,-2.79,;-2.38,-.77,;-2.38,.77,;-1.03,1.56,;.3,.77,;-.67,8.22,;-.05,9.59,;-1.48,10.19,;-2.06,11.61,;-1.11,12.83,;-1.7,14.26,;-.89,15.53,;-1.87,16.71,;-1.63,18.24,;-2.86,19.2,;-4.29,18.63,;-4.52,17.09,;-3.29,16.14,;-3.19,14.61,;-2.65,20.73,;-1.51,21.19,;-3.62,21.48,;-2.48,21.95,;-2.07,8.77,)| Show InChI InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17-,19+,22-,25-,26-,29-/m1/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
US Patent
| n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM244796
(US9446064, A87)Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(OC(F)(F)F)ccc3[nH]2)C1 |r,wU:7.12,5.4,wD:22.24,24.27,8.8,10.11,(3.3,6.13,;1.81,6.53,;1.41,8.02,;.48,5.76,;-.86,6.53,;-2.19,5.76,;-2.19,4.22,;-3.66,3.75,;-4.56,4.99,;-6.1,4.99,;-3.66,6.24,;-4.43,7.57,;-4.43,2.41,;-3.52,1.17,;-4.43,-.08,;-5.89,.4,;-7.22,-.37,;-7.22,-1.91,;-8.56,.4,;-8.56,1.94,;-7.22,2.71,;-5.89,1.94,;.88,4.27,;2.21,3.5,;1.44,2.17,;1.84,.68,;3.32,.28,;3.72,-1.2,;4.97,-2.11,;4.49,-3.57,;5.26,-4.91,;4.49,-6.24,;5.58,-7.33,;7.07,-6.93,;8.16,-8.02,;7.47,-5.44,;8.56,-6.53,;2.95,-6.24,;2.18,-4.91,;2.95,-3.57,;2.48,-2.11,;.11,2.94,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
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 |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM244797
(US9446064, A91)Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3ccc(OC(F)(F)F)cc3n2)C1 |r,wU:8.8,10.11,wD:7.12,5.4,22.24,24.27,(.8,-8.12,;1.2,-6.63,;2.69,-6.23,;.11,-5.54,;-1.11,-6.25,;-2.33,-5.54,;-2.33,-4.13,;-3.67,-3.69,;-4.5,-4.84,;-5.91,-4.84,;-3.67,-5.98,;-4.38,-7.2,;-4.38,-2.47,;-3.55,-1.33,;-4.38,-.19,;-5.72,-.63,;-6.94,.08,;-6.94,1.49,;-8.16,-.63,;-8.16,-2.04,;-6.94,-2.74,;-5.72,-2.04,;.48,-4.18,;-.29,-2.84,;1.04,-2.07,;1.44,-.59,;2.93,-.19,;3.33,1.3,;2.08,2.21,;2.56,3.67,;1.79,5,;2.56,6.34,;4.1,6.34,;5.18,7.43,;6.67,7.03,;7.07,5.54,;7.76,8.12,;8.16,6.63,;4.87,5,;4.1,3.67,;4.57,2.21,;1.81,-3.41,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM244793
(US9446064, A69)Show SMILES CN(C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)[C@@H]1C[C@H](CCc2nc3cc(ccc3[nH]2)C(C)(C)C)C1 |r,wU:5.10,3.2,wD:22.25,20.22,6.6,8.9,(-2.45,-1.08,;-2.84,.41,;-4.18,1.18,;-5.51,.41,;-5.51,-1.13,;-6.98,-1.6,;-7.88,-.36,;-9.42,-.36,;-6.98,.89,;-7.75,2.22,;-7.75,-2.94,;-6.84,-4.18,;-7.75,-5.43,;-9.21,-4.95,;-10.55,-5.72,;-10.55,-7.26,;-11.88,-4.95,;-11.88,-3.41,;-10.55,-2.64,;-9.21,-3.41,;-1.51,1.18,;-1.11,2.67,;.38,2.27,;1.71,3.04,;3.04,2.27,;4.38,3.04,;5.84,2.56,;6.75,3.81,;8.28,3.97,;8.9,5.38,;8,6.62,;6.47,6.46,;5.84,5.06,;4.38,4.58,;10.39,5.78,;11.48,4.69,;10.79,7.26,;11.88,6.18,;-.02,.78,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.51 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific [1-416]
(Homo sapiens (Human)) | BDBM244798
(US9446064, A93)Show SMILES CC(C)N(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)[C@H]1C[C@H](CCc2nc3ccc(OC(F)(F)F)cc3n2)C1 |r,wU:8.8,10.11,22.24,wD:7.12,5.4,24.27,(.8,-8.12,;1.2,-6.63,;2.69,-6.23,;.11,-5.54,;-1.11,-6.25,;-2.33,-5.54,;-2.33,-4.13,;-3.67,-3.69,;-4.5,-4.84,;-5.91,-4.84,;-3.67,-5.98,;-4.38,-7.2,;-4.38,-2.47,;-3.55,-1.33,;-4.38,-.19,;-5.72,-.63,;-6.94,.08,;-6.94,1.49,;-8.16,-.63,;-8.16,-2.04,;-6.94,-2.74,;-5.72,-2.04,;.48,-4.18,;-.29,-2.84,;1.04,-2.07,;1.44,-.59,;2.93,-.19,;3.33,1.3,;2.08,2.21,;2.56,3.67,;1.79,5,;2.56,6.34,;4.1,6.34,;5.18,7.43,;6.67,7.03,;7.07,5.54,;8.16,6.63,;7.76,8.12,;4.87,5,;4.1,3.67,;4.57,2.21,;1.81,-3.41,)| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.92 | n/a | n/a | n/a | n/a | n/a | n/a |
Epizyme, Inc.
US Patent
| Assay Description
An in vitro biological assay that can be used includes the steps of (1) mixing a histone substrate (e.g., an isolated histone sample for a histone or... |
US Patent US9446064 (2016)
BindingDB Entry DOI: 10.7270/Q2QZ28WH |
More data for this
Ligand-Target Pair | |
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