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Compile Data Set for Download or QSAR

Found 6 hits of kd data for polymerid = 50000711   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Brain-derived neurotrophic factor


(Homo sapiens)
BDBM50529729
PNG
(CHEMBL4436421)
Show SMILES CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C34H55N5O35S4/c1-11(40)37-15-24(22(73-77(57,58)59)13(9-64-75(51,52)53)66-31(15)63-8-6-4-3-5-7-36-39-35)68-34-21(46)19(44)26(28(72-34)30(49)50)70-32-16(38-12(2)41)25(69-33-20(45)17(42)18(43)27(71-33)29(47)48)23(74-78(60,61)62)14(67-32)10-65-76(54,55)56/h13-28,31-34,42-46H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,47,48)(H,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1
MMDB

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Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 156n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to BDNF (unknown origin) by SPR assay


Eur J Med Chem 163: 583-596 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.004
More data for this
Ligand-Target Pair
Brain-derived neurotrophic factor


(Homo sapiens)
BDBM50529729
PNG
(CHEMBL4436421)
Show SMILES CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C34H55N5O35S4/c1-11(40)37-15-24(22(73-77(57,58)59)13(9-64-75(51,52)53)66-31(15)63-8-6-4-3-5-7-36-39-35)68-34-21(46)19(44)26(28(72-34)30(49)50)70-32-16(38-12(2)41)25(69-33-20(45)17(42)18(43)27(71-33)29(47)48)23(74-78(60,61)62)14(67-32)10-65-76(54,55)56/h13-28,31-34,42-46H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,47,48)(H,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22+,23+,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1
MMDB

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Reactome pathway
KEGG

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 156n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to BDNF (unknown origin) by SPR assay


Eur J Med Chem 163: 583-596 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.004
More data for this
Ligand-Target Pair
Brain-derived neurotrophic factor


(Homo sapiens)
BDBM50529728
PNG
(CHEMBL4540967)
Show SMILES CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C34H55N5O29S2/c1-11(40)37-15-24(17(42)13(9-60-69(53,54)55)62-31(15)59-8-6-4-3-5-7-36-39-35)64-34-23(48)21(46)26(28(68-34)30(51)52)66-32-16(38-12(2)41)25(18(43)14(63-32)10-61-70(56,57)58)65-33-22(47)19(44)20(45)27(67-33)29(49)50/h13-28,31-34,42-48H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)/t13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 490n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to BDNF (unknown origin) by SPR assay


Eur J Med Chem 163: 583-596 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.004
More data for this
Ligand-Target Pair
Brain-derived neurotrophic factor


(Homo sapiens)
BDBM50529728
PNG
(CHEMBL4540967)
Show SMILES CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C34H55N5O29S2/c1-11(40)37-15-24(17(42)13(9-60-69(53,54)55)62-31(15)59-8-6-4-3-5-7-36-39-35)64-34-23(48)21(46)26(28(68-34)30(51)52)66-32-16(38-12(2)41)25(18(43)14(63-32)10-61-70(56,57)58)65-33-22(47)19(44)20(45)27(67-33)29(49)50/h13-28,31-34,42-48H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)/t13-,14-,15-,16-,17-,18-,19+,20+,21-,22-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 490n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to BDNF (unknown origin) by SPR assay


Eur J Med Chem 163: 583-596 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.004
More data for this
Ligand-Target Pair
Brain-derived neurotrophic factor


(Homo sapiens)
BDBM50529727
PNG
(CHEMBL4552855)
Show SMILES CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C34H55N5O35S4/c1-11(40)37-15-24(22(73-77(57,58)59)13(9-64-75(51,52)53)66-31(15)63-8-6-4-3-5-7-36-39-35)68-34-21(46)19(44)26(28(72-34)30(49)50)70-32-16(38-12(2)41)25(69-33-20(45)17(42)18(43)27(71-33)29(47)48)23(74-78(60,61)62)14(67-32)10-65-76(54,55)56/h13-28,31-34,42-46H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,47,48)(H,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 659n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to BDNF (unknown origin) by SPR assay


Eur J Med Chem 163: 583-596 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.004
More data for this
Ligand-Target Pair
Brain-derived neurotrophic factor


(Homo sapiens)
BDBM50529727
PNG
(CHEMBL4552855)
Show SMILES CC(=O)N[C@H]1[C@H](OCCCCCCN=[N+]=[N-])O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@H]2NC(C)=O)[C@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C34H55N5O35S4/c1-11(40)37-15-24(22(73-77(57,58)59)13(9-64-75(51,52)53)66-31(15)63-8-6-4-3-5-7-36-39-35)68-34-21(46)19(44)26(28(72-34)30(49)50)70-32-16(38-12(2)41)25(69-33-20(45)17(42)18(43)27(71-33)29(47)48)23(74-78(60,61)62)14(67-32)10-65-76(54,55)56/h13-28,31-34,42-46H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,47,48)(H,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 659n/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Binding affinity to BDNF (unknown origin) by SPR assay


Eur J Med Chem 163: 583-596 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.004
More data for this
Ligand-Target Pair