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Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'vandeusen' and Initial = 'cl'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))
BDBM250507
PNG
(US9469627, 2)
Show SMILES C[C@H](NC(=O)c1cnc(nc1)-c1ccccn1)c1cccc(c1)-c1noc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C23H22N6O3/c1-14(15-7-6-8-16(11-15)19-28-22(32-29-19)23(2,3)31)27-21(30)17-12-25-20(26-13-17)18-9-4-5-10-24-18/h4-14,31H,1-3H3,(H,27,30)/t14-/m0/s1
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n/an/a 11n/an/an/an/a7.4n/a



Sanofi

US Patent


Assay Description
I. Assay Solutions a. Preparation of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) Prepare 0.1 M KH2PO4 from 1M KH2PO4 (Sigma, Cat# P-8709) ...


US Patent US9469627 (2016)


BindingDB Entry DOI: 10.7270/Q2D799CT
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))
BDBM250506
PNG
(US9469627, 1)
Show SMILES CC(C)(O)c1nc(no1)-c1cccc(CNC(=O)c2cnc(nc2)-c2ccccn2)c1
Show InChI InChI=1S/C22H20N6O3/c1-22(2,30)21-27-18(28-31-21)15-7-5-6-14(10-15)11-26-20(29)16-12-24-19(25-13-16)17-8-3-4-9-23-17/h3-10,12-13,30H,11H2,1-2H3,(H,26,29)
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Sanofi

US Patent


Assay Description
I. Assay Solutions a. Preparation of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) Prepare 0.1 M KH2PO4 from 1M KH2PO4 (Sigma, Cat# P-8709) ...


US Patent US9469627 (2016)


BindingDB Entry DOI: 10.7270/Q2D799CT
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase


(Homo sapiens (Human))
BDBM250508
PNG
(US9469627, 3)
Show SMILES C[C@@H](NC(=O)c1cnc(nc1)-c1ccccn1)c1cccc(c1)-c1noc(n1)C(C)(C)O |r|
Show InChI InChI=1S/C23H22N6O3/c1-14(15-7-6-8-16(11-15)19-28-22(32-29-19)23(2,3)31)27-21(30)17-12-25-20(26-13-17)18-9-4-5-10-24-18/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1
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US Patent


Assay Description
I. Assay Solutions a. Preparation of 0.1M K2HPO4/KH2PO4 buffer (pH 7.4) Prepare 0.1 M KH2PO4 from 1M KH2PO4 (Sigma, Cat# P-8709) ...


US Patent US9469627 (2016)


BindingDB Entry DOI: 10.7270/Q2D799CT
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617238
PNG
(US11753403, Compound I-47)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N(CCC(O)=O)Cc1ccccc1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617240
PNG
(US11753403, Compound I-241)
Show SMILES CC(C)Cc1sc(Nc2nccc(-c3ccccc3)c2C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617328
PNG
(US11753403, Compound I-268)
Show SMILES COc1cc(ccn1)-c1cnc(Nc2nc(c(s2)C(C)C)-c2ccc(Cl)c(Cl)c2)c(c1)C(O)=O
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617371
PNG
(US11753403, Compound I-279)
Show SMILES CC(C)c1sc(Nc2cc(sc2C(O)=O)-c2ccccc2)nc1-c1ccc(Cl)c(c1)C(F)(F)F
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617374
PNG
(US11753403, Compound I-280)
Show SMILES CC(C)c1sc(Nc2c(sc3ccccc23)C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617158
PNG
(US11753403, Compound I-23)
Show SMILES CC(C)Cc1sc(NCC(CCc2ccccc2)C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617160
PNG
(US11753403, Compound I-217)
Show SMILES CC(C)Cc1sc(Nc2cc(NC(=O)c3ccccc3)cc(c2)C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617241
PNG
(US11753403, Compound I-48)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N(CCC(O)=O)Cc1cccc2OCOc12
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617243
PNG
(US11753403, Compound I-242)
Show SMILES CC(C)Cc1sc(Nc2nccc(Cl)c2C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617244
PNG
(US11753403, Compound I-49)
Show SMILES COc1ccccc1CN(CCC(O)=O)c1nc(c(CC(C)C)s1)-c1ccc(Cl)c(Cl)c1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617246
PNG
(US11753403, Compound I-243)
Show SMILES COc1ccnc(Nc2nc(c(CC(C)C)s2)-c2ccc(Cl)c(Cl)c2)c1C(O)=O
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617333
PNG
(US11753403, Compound I-177)
Show SMILES OC(=O)C(CNc1nc(c(s1)C1CCCC1)-c1ccc(Cl)c(Cl)c1)Cc1ccccc1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617334
PNG
(US11753403, Compound I-270)
Show SMILES CC(C)Cc1sc(Nc2cc(sc2C(O)=O)-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617164
PNG
(US11753403, Compound I-25)
Show SMILES CC(C)Cc1sc(NCC(Cc2cccc3[nH]ccc23)C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617165
PNG
(US11753403, Compound I-126)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(cc1)-c1ccsc1)N(CCC(O)=O)Cc1ccccc1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617250
PNG
(US11753403, Compound I-244)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N1CCN(C(C1)C(O)=O)C(=O)OCc1ccccc1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617251
PNG
(US11753403, Compound I-51)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N(CCC(O)=O)Cc1cccc(F)c1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617254
PNG
(US11753403, Compound I-52)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N(CCC(O)=O)CCc1ccccc1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617337
PNG
(US11753403, Compound I-271)
Show SMILES CC(C)Cc1sc(Nc2cc(sc2C(O)=O)-c2ccc(F)cc2)nc1-c1ccc(Cl)c(Cl)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617259
PNG
(US11753403, Compound I-247)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N1CCN(C(C1)C(O)=O)C(=O)c1cccc(F)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617262
PNG
(US11753403, Compound I-248)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N1CCN(C(C1)C(O)=O)C(=O)c1cccs1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617342
PNG
(US11753403, Compound I-272)
Show SMILES CC(C)Cc1sc(Nc2cc(sc2C(O)=O)-c2cccc(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617344
PNG
(US11753403, Compound I-180)
Show SMILES CC(C)CCc1sc(NCC(Cc2ccccc2)C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
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BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617346
PNG
(US11753403, Compound I-273)
Show SMILES CC(C)Cc1sc(Nc2cc(sc2C(O)=O)-c2cccnc2)nc1-c1ccc(Cl)c(Cl)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617393
PNG
(US11753403, Compound I-96)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N(CCCc1ccccc1)CCC(O)=O
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617397
PNG
(US11753403, Compound I-309)
Show SMILES OC(=O)c1sc(cc1Nc1nc(CCc2ccccc2)c(s1)-c1ccc(Cl)c(Cl)c1)C1CCCC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617398
PNG
(US11753403, Compound I-310)
Show SMILES OC(=O)c1sc(cc1Nc1nc(Cc2ccccc2)c(s1)-c1ccccc1)C1CCCC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617399
PNG
(US11753403, Compound I-320)
Show SMILES CC(C)c1sc(Nc2ncc(cc2C(O)=O)C(F)(F)F)nc1-c1nc2ccccc2s1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617400
PNG
(US11753403, Compound I-321)
Show SMILES CC(C)Cc1sc(Nc2ncc(cc2C(O)=O)C(F)(F)F)nc1-c1ccc2ccccc2c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617401
PNG
(US11753403, Compound I-322)
Show SMILES CC(C)Cc1sc(Nc2ncc(cc2C(O)=O)-c2ccc3ccccc3c2)nc1-c1ccc(Cl)c(Cl)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617402
PNG
(US11753403, Compound I-323)
Show SMILES CC(C)c1sc(Nc2ncc(cc2C(O)=O)C(F)(F)F)nc1-c1ccc(Cl)cc1Cl
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617403
PNG
(US11753403, Compound I-324)
Show SMILES COc1ccc(cc1Cl)-c1nc(Nc2ncc(cc2C(O)=O)-c2cccs2)sc1C(C)C
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617404
PNG
(US11753403, Compound I-325)
Show SMILES COc1ccc(cc1Cl)-c1nc(Nc2ncc(cc2C(O)=O)C(F)(F)F)sc1CC(C)C
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617405
PNG
(US11753403, Compound I-326)
Show SMILES COc1ccc(cc1Cl)-c1nc(Nc2ncc(cc2C(O)=O)C(F)(F)F)sc1C(C)C
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617406
PNG
(US11753403, Compound I-327)
Show SMILES COCCOc1ccc(cc1Cl)-c1nc(Nc2ncc(cc2C(O)=O)-c2cccs2)sc1CC(C)C
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617407
PNG
(US11753403, Compound I-329)
Show SMILES CC(C)Cc1sc(Nc2ncc(cc2C(O)=O)-c2cccs2)nc1-c1ccc(OCC(N)=O)c(Cl)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617408
PNG
(US11753403, Compound I-330)
Show SMILES CCOc1ccc(cc1Cl)-c1nc(Nc2ncc(cc2C(O)=O)-c2cccs2)sc1CC(C)C
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617409
PNG
(US11753403, Compound I-331)
Show SMILES CC(C)Cc1sc(Nc2ncc(cc2C(O)=O)-c2cccs2)nc1-c1ccc(OCCO)c(Cl)c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617410
PNG
(US11753403, Compound I-332)
Show SMILES CC(C)Cc1sc(Nc2ncc(cc2C(O)=O)-c2cccs2)nc1-c1ccc(OCC2CC2)c(Cl)c1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617411
PNG
(US11753403, Compound I-333)
Show SMILES COc1ccc(cc1)-c1nc(Nc2ncc(cc2C(O)=O)-c2cccs2)sc1CC(C)C
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM616977
PNG
(US11753403, Compound I-1)
Show SMILES CC(C)c1sc(NCC(Cc2ccccc2)C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617018
PNG
(US11753403, Compound I-2)
Show SMILES CC(C)c1sc(NCC(Cc2cccc3OCOc23)C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617058
PNG
(US11753403, Compound I-3)
Show SMILES COc1ccccc1CC(CNc1nc(c(s1)C(C)C)-c1ccc(Cl)c(Cl)c1)C(O)=O
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617098
PNG
(US11753403, Compound I-100)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Cl)c(Cl)c1)N(CCc1nnn[nH]1)Cc1ccccc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617104
PNG
(US11753403, Compound I-101)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(cc1)-c1ccc(F)cc1)N(CCC(O)=O)Cc1ccccc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617106
PNG
(US11753403, Compound I-6)
Show SMILES CC(C)c1sc(NCC(CCc2ccccc2)C(O)=O)nc1-c1ccc(Cl)c(Cl)c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E [28-217]


(Homo sapiens (Human))
BDBM617107
PNG
(US11753403, Compound I-103)
Show SMILES CC(C)Cc1sc(nc1-c1ccc(Oc2ccccc2)c(Cl)c1)N(CCC(O)=O)Cc1ccccc1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2TH8RT4
More data for this
Ligand-Target Pair
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