Found 86 hits with Last Name = 'zhou' and Initial = 'xl' 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 |
|---|
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594944
(CHEMBL5181703)Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223986
((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594938
(CHEMBL5201204)Show SMILES [2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1c2CCOc2ccc1F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594938
(CHEMBL5201204)Show SMILES [2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1c2CCOc2ccc1F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
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| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594945
(CHEMBL5180485)Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COc2ccc(OCCNC(=O)CCc3ccc(c(N)n3)-c3cnc(NCc4c5CCOc5ccc4F)n4cnnc34)cc2)C(C)(C)C)cc1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50562610
(CHEMBL4779022)Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCNC(=O)CCc2ccc(c(C)n2)-c2cnc(NCc3c4CCOc4ccc3F)n3cnnc23)C(C)(C)C)cc1 |r| | PDB
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PC cid
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| Article
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12
(Homo sapiens (Human)) | BDBM50594944
(CHEMBL5181703)Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594931
(CHEMBL5169768)Show SMILES CC(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:6| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594928
(CHEMBL5171195)Show SMILES CS(=O)(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:7| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594929
(CHEMBL5173010)Show SMILES CCS(=O)(=O)N1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:8| | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(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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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594930
(CHEMBL5188142)Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)n2cnnc12 |c:4| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50611346
(CHEMBL5266070)Show SMILES CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(=O)NCCCOCCOCCOCCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)C1CC1 |(-11.52,3.67,;-10.07,4.21,;-8.89,3.22,;-7.39,3.6,;-6.57,2.3,;-7.56,1.11,;-8.99,1.69,;-10.29,.86,;-10.23,-.67,;-8.87,-1.39,;-8.81,-2.93,;-10.11,-3.75,;-11.48,-3.03,;-12.92,-3.57,;-13.87,-2.36,;-15.41,-2.26,;-16.09,-.87,;-17.63,-.77,;-18.61,-1.96,;-18.23,-3.45,;-20.04,-1.38,;-19.94,.15,;-18.45,.53,;-17.88,1.96,;-15.23,.41,;-15.91,1.79,;-15.06,3.07,;-13.7,.3,;-13.02,-1.08,;-11.53,-1.5,;-7.45,-3.65,;-7.39,-5.19,;-6.14,-2.83,;-4.78,-3.55,;-3.48,-2.72,;-2.12,-3.44,;-.81,-2.62,;.55,-3.34,;1.85,-2.52,;3.21,-3.24,;4.52,-2.41,;5.88,-3.13,;7.18,-2.31,;8.55,-3.03,;9.85,-2.21,;11.21,-2.92,;12.51,-2.1,;13.88,-2.82,;13.94,-4.36,;15.3,-5.08,;16.6,-4.26,;16.54,-2.72,;17.65,-1.64,;19.16,-1.91,;16.96,-.26,;17.68,1.1,;16.86,2.4,;17.58,3.77,;19.12,3.83,;19.84,5.19,;19.94,2.52,;19.22,1.16,;20.04,-.14,;15.44,-.48,;14.37,.62,;15.18,-2,;-5.04,2.2,;-3.76,1.34,;-3.66,2.88,)| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
PC sid
UniChem
| | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(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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| PDB
Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM291687
(N-((5-Fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-...)Show InChI InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24) | PDB
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| PDB
Article
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594937
(CHEMBL5180270)Show SMILES Cc1cc(-c2cnc(NCC3Cc4cc(F)ccc4O3)n3cc(nc23)C#N)n(C)n1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594936
(CHEMBL5206890)Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)n2cc(nc12)C#N | PDB
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PC sid
UniChem
| Article
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| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594935
(CHEMBL5205261)Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12 |c:4| | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594933
(CHEMBL5193972)Show SMILES CN1CCC(=CC1)c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12 |c:4| | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594932
(CHEMBL5203240)Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594934
(CHEMBL5171965)Show SMILES Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2nncn12 | PDB
UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50613876
(CHEMBL5277869)Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)c1cc(OC)ccn1 |r,c:5| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50611350
(CHEMBL5272010)Show SMILES [H][C@@]12C[C@H](C(C)=C1[C@@]1(C)[C@H](CC(=O)OC)[C@@]3(C)C(=O)C=C[C@@]4(C)C(=O)O[C@@]([H])([C@@]1([H])O2)[C@]34[H])c1ccoc1-c1ccc(cc1)C(=O)NCCCNC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |r,c:5,20,62| | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50562612
(CHEMBL4749741)Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(cc2)-c2cnc(NCc3ccco3)n3cnnc23)C(C)(C)C)cc1 |r| | PDB
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| n/a | n/a | 247 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223986
((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1 | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50562612
(CHEMBL4749741)Show SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCNC(=O)c2ccc(cc2)-c2cnc(NCc3ccco3)n3cnnc23)C(C)(C)C)cc1 |r| | 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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
E3 ubiquitin-protein ligase RNF114
(Homo sapiens) | BDBM50611351
(CHEMBL5274261)Show SMILES ClCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1ccc(Br)cc1 |c:5| | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| PC cid
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| | n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50236003
(CHEMBL4096234)Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2 | PDB
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| PDB
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| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Folliculin-interacting protein 1
(Homo sapiens) | BDBM50611352
(CHEMBL5289726) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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| PC cid
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| | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50235994
(CHEMBL4063655)Show InChI InChI=1S/C12H9N5O/c13-6-9-3-4-11-16-15-8-17(11)12(9)14-7-10-2-1-5-18-10/h1-5,8,14H,7H2 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM10404
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 | UniProtKB/SwissProt
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| | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50577992
(CHEMBL4860003)Show SMILES [H][C@@]12Cc3[nH]c(=O)ccc3[C@](CC(C)=C1)(Nc1ccc(OC)cn1)\C2=C\C |r,c:14,TLB:13:12:24:9.3.2,4:3:24:14.11.12,THB:8:9:24:14.11.12| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as a substrate incubated for 20 mins followed by substrate addition and measured aft... |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00600
BindingDB Entry DOI: 10.7270/Q28P64CV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50613874
(CHEMBL5288014)Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)c1ncccc1C |r,c:5| | UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594939
(CHEMBL5187105) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594941
(CHEMBL5191512) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50236003
(CHEMBL4096234)Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 3.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50613873
(CHEMBL5279203)Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)c1ccccn1 |r,c:5| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
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| | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50577989
(CHEMBL4863043)Show SMILES [H][C@@]12Cc3[nH]c(=O)ccc3[C@](CC(C)=C1)(Nc1c(C)cc(OC)cc1C)\C2=C\C |r,c:14,TLB:13:12:26:9.3.2,4:3:26:14.11.12,THB:8:9:26:14.11.12| | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as a substrate incubated for 20 mins followed by substrate addition and measured aft... |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00600
BindingDB Entry DOI: 10.7270/Q28P64CV |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50236003
(CHEMBL4096234)Show InChI InChI=1S/C22H20N6O/c23-11-19-18-8-9-27(13-16-5-2-1-3-6-16)14-20(18)22-26-25-15-28(22)21(19)24-12-17-7-4-10-29-17/h1-7,10,15,24H,8-9,12-14H2 | PDB
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| PDB
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| n/a | n/a | 4.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50577988
(CHEMBL4858516)Show SMILES [H][C@@]12Cc3[nH]c(=O)ccc3[C@](CC(C)=C1)(Nc1ccc(F)cc1)\C2=C\C |r,c:14,TLB:13:12:23:9.3.2,4:3:23:14.11.12,THB:8:9:23:14.11.12| | UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as a substrate incubated for 20 mins followed by substrate addition and measured aft... |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00600
BindingDB Entry DOI: 10.7270/Q28P64CV |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50594940
(CHEMBL5174215) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50611347
(CHEMBL5277462)Show SMILES COc1cc(CN(CCCCNC(=O)COc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)C(=O)C[C@@H]2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)c(cc1OC)[N+]([O-])=O |r,c:42| | PDB
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| PC cid
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| | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50509087
(Ma''edamine A | Ma'edamine A)Show SMILES COc1ccc(Cc2nc(c[nH]c2=O)-c2cc(Br)c(OCCCN(C)C)c(Br)c2)cc1Br Show InChI InChI=1S/C23H24Br3N3O3/c1-29(2)7-4-8-32-22-17(25)11-15(12-18(22)26)20-13-27-23(30)19(28-20)10-14-5-6-21(31-3)16(24)9-14/h5-6,9,11-13H,4,7-8,10H2,1-3H3,(H,27,30) | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southwest Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111664
BindingDB Entry DOI: 10.7270/Q24T6NNS |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50199522
((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...)Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1 | UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as a substrate incubated for 20 mins followed by substrate addition and measured aft... |
Citation and Details
Article DOI: 10.1021/acs.jnatprod.1c00600
BindingDB Entry DOI: 10.7270/Q28P64CV |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50613875
(CHEMBL5270630)Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)c1cccc(C)n1 |r,c:5| | UniProtKB/SwissProt
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| PC cid
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| | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50509086
(CHEMBL4539558)Show InChI InChI=1S/C11H10BrN5O2/c12-5-3-15-8-6(5)4(1-2-14-9(8)18)7-10(19)17-11(13)16-7/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4+ | PDB
MMDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southwest Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111664
BindingDB Entry DOI: 10.7270/Q24T6NNS |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50509084
(CHEMBL4531006)Show SMILES Brc1[nH]c2c(c1Br)\C(CCNC2=O)=C1\NC(=N)NC1=O Show InChI InChI=1S/C11H9Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20)/b6-3+ | PDB
MMDB
KEGG
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Southwest Jiaotong University
Curated by ChEMBL
| Assay Description
Inhibition of EGFR (unknown origin) |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111664
BindingDB Entry DOI: 10.7270/Q24T6NNS |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50613877
(CHEMBL5274900)Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(Cc3ccc(OC)c(O2)c13)c1ncccc1OC |r,c:5| | UniProtKB/SwissProt
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| PC cid
PC sid
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| | n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(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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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114144
BindingDB Entry DOI: 10.7270/Q2DN4921 |
More data for this
Ligand-Target Pair | |
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