Found 85 hits of kd for UniProtKB: O75530 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 |
|---|
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 82 | n/a | n/a | n/a | 8.0 | 1,390.75 |
Novartis Institutes for BioMedical Research
| Assay Description
ITC experiments were performed by Auto ITC200 (Microcal) at 25 °C. ITC sample cell was filled with 10 μM PRC2 in titration buffer (25 mM HEPES p... |
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 | 
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223987
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | 7.4 | 20 |
AbbVie Inc.
| Assay Description
SPR studies were performed using a Biacore T200 (GE Health Sciences Inc.) at 20 °C. Approximately 8,400 response units (RU) of biotinylated EED was c... |
Nat Chem Biol 13: 389-395 (2017)
Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241645
(CHEMBL4078052)Show SMILES COc1ccc(cc1OC)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1N(C)C |r| Show InChI InChI=1S/C22H29FN2O2/c1-15-7-6-8-19(23)17(15)12-25-13-18(20(14-25)24(2)3)16-9-10-21(26-4)22(11-16)27-5/h6-11,18,20H,12-14H2,1-5H3/t18-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241646
(CHEMBL4102320)Show SMILES COc1ccc(cc1OC)[C@H]1CN(C[C@@H]1N(C)C)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C23H29FN2O2/c1-25(2)20-14-26(19-10-8-15-6-5-7-18(24)23(15)19)13-17(20)16-9-11-21(27-3)22(12-16)28-4/h5-7,9,11-12,17,19-20H,8,10,13-14H2,1-4H3/t17-,19?,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241647
(CHEMBL4067115)Show SMILES CN(C)[C@@H]1CN(Cc2c(F)cccc2Br)C[C@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to biotin labelled human EED (78 to 441 residues) by SPR assay |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50235626
(CHEMBL4075197)Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241648
(CHEMBL4072980)Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27FN2O2S/c1-15-6-5-7-20(22)18(15)12-24-13-19(21(14-24)23(2)3)16-8-10-17(11-9-16)27(4,25)26/h5-11,19,21H,12-14H2,1-4H3/t19-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50235656
(CHEMBL4085375)Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccccc1 |r| Show InChI InChI=1S/C19H22BrFN2/c1-22(2)19-13-23(11-15(19)14-7-4-3-5-8-14)12-16-17(20)9-6-10-18(16)21/h3-10,15,19H,11-13H2,1-2H3/t15-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241649
(CHEMBL4093134)Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccccn1 |r| Show InChI InChI=1S/C18H21BrFN3/c1-22(2)18-12-23(10-13-15(19)6-5-7-16(13)20)11-14(18)17-8-3-4-9-21-17/h3-9,14,18H,10-12H2,1-2H3/t14-,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241650
(CHEMBL4100850)Show SMILES CN(C)[C@H]1CN(Cc2c(F)cc(O)cc2Br)C[C@@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C22H25BrFN3O/c1-25(2)22-13-27(12-18-19(23)8-14(28)9-20(18)24)11-17(22)16-10-26(3)21-7-5-4-6-15(16)21/h4-10,17,22,28H,11-13H2,1-3H3/t17-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241652
(CHEMBL4074086)Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C19H22N2O4S/c1-25-17-9-5-4-8-16(17)20-11-13-21(14-12-20)19(22)15-7-3-6-10-18(15)26(2,23)24/h3-10H,11-14H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50235631
(CHEMBL4060827)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25?,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241647
(CHEMBL4067115)Show SMILES CN(C)[C@@H]1CN(Cc2c(F)cccc2Br)C[C@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241653
(CHEMBL4093678)Show SMILES CN(C)[C@@H]1CN(Cc2c(C)cccc2F)C[C@H]1c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27FN2O2S/c1-15-6-5-7-20(22)18(15)12-24-13-19(21(14-24)23(2)3)16-8-10-17(11-9-16)27(4,25)26/h5-11,19,21H,12-14H2,1-4H3/t19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241648
(CHEMBL4072980)Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27FN2O2S/c1-15-6-5-7-20(22)18(15)12-24-13-19(21(14-24)23(2)3)16-8-10-17(11-9-16)27(4,25)26/h5-11,19,21H,12-14H2,1-4H3/t19-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50127824
(2-Pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline | C...)Show InChI InChI=1S/C14H14N2/c1-2-4-13-11-16(10-7-12(13)3-1)14-5-8-15-9-6-14/h1-6,8-9H,7,10-11H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241655
(CHEMBL4071358)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241656
(CHEMBL4092154)Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241657
(CHEMBL4077899)Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25+,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Fibrinogen binding to Fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
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
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241658
(CHEMBL4064198)Show InChI InChI=1S/C16H19N3/c1-18(2)16-11-15(7-9-17-16)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241655
(CHEMBL4071358)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241656
(CHEMBL4092154)Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to biotin labelled human EED (78 to 441 residues) by SPR assay |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241657
(CHEMBL4077899)Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25+,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223984
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C |r| Show InChI InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50235648
(CHEMBL4081496)Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C26H35FN4O/c1-19-6-5-7-25(27)23(19)16-29-17-24(26(18-29)28(3)4)21-8-10-22(11-9-21)31-14-12-30(13-15-31)20(2)32/h5-11,24,26H,12-18H2,1-4H3/t24-,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50235631
(CHEMBL4060827)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25?,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to biotin labelled human EED (78 to 441 residues) by SPR assay |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241659
(CHEMBL4079004)Show SMILES COc1ccc(cc1OC)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1N(C)C |r| Show InChI InChI=1S/C21H26BrFN2O2/c1-24(2)19-13-25(12-16-17(22)6-5-7-18(16)23)11-15(19)14-8-9-20(26-3)21(10-14)27-4/h5-10,15,19H,11-13H2,1-4H3/t15-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241653
(CHEMBL4093678)Show SMILES CN(C)[C@@H]1CN(Cc2c(C)cccc2F)C[C@H]1c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H27FN2O2S/c1-15-6-5-7-20(22)18(15)12-24-13-19(21(14-24)23(2)3)16-8-10-17(11-9-16)27(4,25)26/h5-11,19,21H,12-14H2,1-4H3/t19-,21+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241661
(CHEMBL4103307)Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccc(O)cc1 |r| Show InChI InChI=1S/C19H22BrFN2O/c1-22(2)19-12-23(11-16-17(20)4-3-5-18(16)21)10-15(19)13-6-8-14(24)9-7-13/h3-9,15,19,24H,10-12H2,1-2H3/t15-,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to biotin labelled human EED (78 to 441 residues) by SPR assay |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50127824
(2-Pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline | C...)Show InChI InChI=1S/C14H14N2/c1-2-4-13-11-16(10-7-12(13)3-1)14-5-8-15-9-6-14/h1-6,8-9H,7,10-11H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50235626
(CHEMBL4075197)Show SMILES CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C22H25BrFN3/c1-25(2)22-14-27(13-18-19(23)8-6-9-20(18)24)12-17(22)16-11-26(3)21-10-5-4-7-15(16)21/h4-11,17,22H,12-14H2,1-3H3/t17-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241660
(CHEMBL4084398)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25+,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM223985
(rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...)Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241660
(CHEMBL4084398)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25+,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
The compound was tested for the inhibition of fibrinogen receptor |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50241662
(CHEMBL4104741)Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a |
AbbVie Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma |
J Med Chem 60: 8321-8335 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00576
BindingDB Entry DOI: 10.7270/Q2TM7D8G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50282114
(CHEMBL4160235)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C74H120N24O20/c1-39(2)35-52(94-62(107)45(75)17-13-32-84-73(80)81)70(115)92-48(24-28-56(76)101)63(108)86-40(3)60(105)88-49(25-29-57(77)102)66(111)91-47(19-14-33-85-74(82)83)64(109)90-46(18-11-12-34-98(5,6)7)65(110)95-53(36-42-15-9-8-10-16-42)69(114)87-41(4)61(106)89-50(26-30-58(78)103)68(113)97-55(38-99)71(116)93-51(27-31-59(79)104)67(112)96-54(72(117)118)37-43-20-22-44(100)23-21-43/h8-10,15-16,20-23,39-41,45-55,99H,11-14,17-19,24-38,75H2,1-7H3,(H29-,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,117,118)/p+1/t40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method |
Eur J Med Chem 136: 14-35 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50282157
(CHEMBL4161291)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCCN(C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C33H53N5O3/c1-24(2)37(3)19-13-10-18-28(35-32(40)29-23-26-16-8-9-17-27(26)34-29)31(39)36-30(22-25-14-6-4-7-15-25)33(41)38-20-11-5-12-21-38/h4,6-7,14-15,24,26-30,34H,5,8-13,16-23H2,1-3H3,(H,35,40)(H,36,39)/t26-,27-,28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method |
Eur J Med Chem 136: 14-35 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50282161
(CHEMBL4175336)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(N)=O |r| Show InChI InChI=1S/C32H53N7O6/c1-21(2)18-25(28(33)41)36-31(44)26(19-22-12-7-6-8-13-22)37-30(43)24(14-9-10-17-39(3,4)5)35-32(45)27(20-40)38-29(42)23-15-11-16-34-23/h6-8,12-13,21,23-27,34,40H,9-11,14-20H2,1-5H3,(H5-,33,35,36,37,38,41,42,43,44,45)/p+1/t23-,24-,25-,26-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method |
Eur J Med Chem 136: 14-35 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50282163
(CHEMBL4171889)Show SMILES [H][C@]12C[C@H](N[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCCN(C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C34H56N6O4/c1-22(2)19-28(31(35)41)38-33(43)29(20-24-13-7-6-8-14-24)39-32(42)27(17-11-12-18-40(5)23(3)4)37-34(44)30-21-25-15-9-10-16-26(25)36-30/h6-8,13-14,22-23,25-30,36H,9-12,15-21H2,1-5H3,(H2,35,41)(H,37,44)(H,38,43)(H,39,42)/t25-,26-,27-,28-,29-,30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method |
Eur J Med Chem 136: 14-35 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50282164
(CHEMBL4164708)Show SMILES COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCC(N)=O |r| Show InChI InChI=1S/C33H56N10O7/c1-21(32(49)50-5)39-31(48)26(20-22-12-7-6-8-13-22)42-30(47)24(14-9-10-19-43(2,3)4)41-29(46)25(15-11-18-38-33(36)37)40-28(45)23(34)16-17-27(35)44/h6-8,12-13,21,23-26H,9-11,14-20,34H2,1-5H3,(H9-,35,36,37,38,39,40,41,42,44,45,46,47,48)/p+1/t21-,23-,24-,25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method |
Eur J Med Chem 136: 14-35 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50282165
(CHEMBL4168151)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C31H50N6O6/c1-21(27(32)39)33-30(42)25(19-22-13-7-5-8-14-22)35-29(41)24(17-11-12-18-37(2,3)4)34-31(43)26(20-38)36-28(40)23-15-9-6-10-16-23/h5,7-8,13-14,21,23-26,38H,6,9-12,15-20H2,1-4H3,(H5-,32,33,34,35,36,39,40,41,42,43)/p+1/t21-,24-,25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Binding affinity to full length N-terminal His-tagged EED (unknown origin) expressed in Rosetta2 BL21(DE3)pLysS cells by ITC method |
Eur J Med Chem 136: 14-35 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description
Binding affinity to EED (unknown origin) by ITC method |
Eur J Med Chem 136: 14-35 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.047
BindingDB Entry DOI: 10.7270/Q2F76G3G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50259900
(CHEMBL4101947)Show InChI InChI=1S/C13H19NO/c1-15-13-6-2-4-11(9-13)8-12-5-3-7-14-10-12/h2,4,6,9,12,14H,3,5,7-8,10H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human methionine-13Cepsilon-methyl labeled PRC2-EED (76 to 441 residues) expressed in Escherichia coli BL21 (DE3) by 2D NMR metho... |
J Med Chem 60: 415-427 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01473
BindingDB Entry DOI: 10.7270/Q2DF6TNJ |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127904
BindingDB Entry DOI: 10.7270/Q2SX6HXN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50563656
(CHEMBL4754048)Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3c(F)cc2F)n2cnnc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127904
BindingDB Entry DOI: 10.7270/Q2SX6HXN |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50563657
(CHEMBL4762963)Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3c(Cl)cc2F)n2cnnc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127904
BindingDB Entry DOI: 10.7270/Q2SX6HXN |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50563658
(CHEMBL4748924)Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3c(cc2F)C#N)n2cnnc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127904
BindingDB Entry DOI: 10.7270/Q2SX6HXN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50563659
(CHEMBL4759335)Show SMILES Cc1ncccc1-c1cnc(NCc2c3CCOc3c(N)cc2F)n2cnnc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127904
BindingDB Entry DOI: 10.7270/Q2SX6HXN |
More data for this
Ligand-Target Pair | |
Polycomb protein EED
(Homo sapiens (Human)) | BDBM50563660
(CHEMBL4752420)Show SMILES COc1cc(F)c(CNc2ncc(-c3cccnc3C)c3nncn23)c2CCOc12 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.05E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to EED (unknown origin) assessed as dissociation constant by SPR analysis |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127904
BindingDB Entry DOI: 10.7270/Q2SX6HXN |
More data for this
Ligand-Target Pair | |
Search and Browse
