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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'whiting' and Initial = 'a'   
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
Dynamin-2


(Homo sapiens (Human))
BDBM50423883
PNG
(CHEMBL2312430)
Show SMILES CCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423885
PNG
(CHEMBL2312431)
Show SMILES CCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C26H45N3/c1-4-5-6-7-8-9-10-11-12-15-19-27-22-24-23-29(21-16-20-28(2)3)26-18-14-13-17-25(24)26/h13-14,17-18,23,27H,4-12,15-16,19-22H2,1-3H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423888
PNG
(CHEMBL2312414)
Show SMILES CCCCCCCCNC(=O)C(=C\c1cn(CC(O)CN(C)C)c2ccccc12)\C#N
Show InChI InChI=1S/C25H36N4O2/c1-4-5-6-7-8-11-14-27-25(31)20(16-26)15-21-17-29(19-22(30)18-28(2)3)24-13-10-9-12-23(21)24/h9-10,12-13,15,17,22,30H,4-8,11,14,18-19H2,1-3H3,(H,27,31)/b20-15+
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n/an/a 3.50E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423886
PNG
(CHEMBL2312428)
Show SMILES CCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C22H37N3/c1-4-5-6-7-8-11-15-23-18-20-19-25(17-12-16-24(2)3)22-14-10-9-13-21(20)22/h9-10,13-14,19,23H,4-8,11-12,15-18H2,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423887
PNG
(CHEMBL2312415)
Show SMILES CCCCCCCCNC(=O)C(=C\c1c(C)n(CC(O)CN2CCCC2)c2ccccc12)\C#N
Show InChI InChI=1S/C28H40N4O2/c1-3-4-5-6-7-10-15-30-28(34)23(19-29)18-26-22(2)32(27-14-9-8-13-25(26)27)21-24(33)20-31-16-11-12-17-31/h8-9,13-14,18,24,33H,3-7,10-12,15-17,20-21H2,1-2H3,(H,30,34)/b23-18+
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n/an/a 4.50E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50268295
PNG
(2-Cyano-N-octyl-3-(1-(3-dimethylaminopropyl)-1H-in...)
Show SMILES CCCCCCCCNC(=O)C(=C\c1cn(CCCN(C)C)c2ccccc12)\C#N
Show InChI InChI=1S/C25H36N4O/c1-4-5-6-7-8-11-15-27-25(30)21(19-26)18-22-20-29(17-12-16-28(2)3)24-14-10-9-13-23(22)24/h9-10,13-14,18,20H,4-8,11-12,15-17H2,1-3H3,(H,27,30)/b21-18+
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n/an/a 5.00E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-2


(Rattus norvegicus)
BDBM50423883
PNG
(CHEMBL2312430)
Show SMILES CCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C24H41N3/c1-4-5-6-7-8-9-10-13-17-25-20-22-21-27(19-14-18-26(2)3)24-16-12-11-15-23(22)24/h11-12,15-16,21,25H,4-10,13-14,17-20H2,1-3H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of rat full length His6-tagged dyn2 using phosphotidylserine as substrate after 90 mins by malachite green GTPase assay in presence of GTP


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50388829
PNG
(CHEMBL2062753)
Show SMILES CN(C)CCCOc1ccc(\C=C2/SC(=S)N(CC=C)C2=O)cc1
Show InChI InChI=1S/C18H22N2O2S2/c1-4-10-20-17(21)16(24-18(20)23)13-14-6-8-15(9-7-14)22-12-5-11-19(2)3/h4,6-9,13H,1,5,10-12H2,2-3H3/b16-13-
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n/an/a 5.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dynamin1-mediated endocytosis in human U2OS cells assessed as inhibition of Texas red-Tf uptake incubated for 30 mins prior to Texas re...


ACS Med Chem Lett 3: 352-356 (2012)


Article DOI: 10.1021/ml200284s
BindingDB Entry DOI: 10.7270/Q2V40W83
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50423884
PNG
(CHEMBL2312432)
Show SMILES CCCCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
Show InChI InChI=1S/C28H49N3/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-29-24-26-25-31(23-18-22-30(2)3)28-20-16-15-19-27(26)28/h15-16,19-20,25,29H,4-14,17-18,21-24H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis of Tfn after 30 mins


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446548
PNG
(CHEMBL3110181)
Show SMILES [O-]S(=O)(=O)c1cc2C(=O)N(Cc3ccccc3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C19H13NO5S/c21-18-15-8-4-7-13-9-14(26(23,24)25)10-16(17(13)15)19(22)20(18)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,23,24,25)/p-1
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n/an/a 6.90E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50388828
PNG
(CHEMBL2062743)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(OCCCN(C)C)cc2)C1=O
Show InChI InChI=1S/C17H22N2O2S2/c1-4-19-16(20)15(23-17(19)22)12-13-6-8-14(9-7-13)21-11-5-10-18(2)3/h6-9,12H,4-5,10-11H2,1-3H3/b15-12-
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dynamin1-mediated endocytosis in human U2OS cells assessed as inhibition of Texas red-Tf uptake incubated for 30 mins prior to Texas re...


ACS Med Chem Lett 3: 352-356 (2012)


Article DOI: 10.1021/ml200284s
BindingDB Entry DOI: 10.7270/Q2V40W83
More data for this
Ligand-Target Pair
Dynamin-2


(Rattus norvegicus)
BDBM50055861
PNG
(CHEMBL3329968)
Show SMILES OC(=O)c1ccc(NC2=CC(=O)C(Nc3ccc(cc3)C(O)=O)=CC2=O)cc1 |c:23,t:8|
Show InChI InChI=1S/C20H14N2O6/c23-17-10-16(22-14-7-3-12(4-8-14)20(27)28)18(24)9-15(17)21-13-5-1-11(2-6-13)19(25)26/h1-10,21-22H,(H,25,26)(H,27,28)
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n/an/a 9.10E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of phosphatidylserine-stimulated GTPase activity of recombinant rat Dynamin 2 expressed in Sf21 cells assessed as inhibition of orthophosp...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446549
PNG
(CHEMBL3110180)
Show SMILES Nc1ccccc1CN1C(=O)c2cccc3cc(cc(C1=O)c23)S([O-])(=O)=O
Show InChI InChI=1S/C19H14N2O5S/c20-16-7-2-1-4-12(16)10-21-18(22)14-6-3-5-11-8-13(27(24,25)26)9-15(17(11)14)19(21)23/h1-9H,10,20H2,(H,24,25,26)/p-1
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n/an/a 1.00E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446543
PNG
(CHEMBL3110178)
Show SMILES [O-]S(=O)(=O)c1cc2C(=O)N(Cc3ccc(Cl)cc3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C19H12ClNO5S/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10H2,(H,24,25,26)/p-1
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n/an/a 1.00E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446544
PNG
(CHEMBL3110188)
Show SMILES [O-]S(=O)(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C19H12FNO5S/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10H2,(H,24,25,26)/p-1
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n/an/a 1.20E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Dynamin-1


(Rattus norvegicus)
BDBM50318675
PNG
(4-Chloro-2-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihyd...)
Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H12ClN3O7/c23-12-5-7-16(22(30)31)18(9-12)24-19(27)11-4-6-15-17(8-11)21(29)25(20(15)28)13-2-1-3-14(10-13)26(32)33/h1-10H,(H,24,27)(H,30,31)
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n/an/a 1.29E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dynamin 1-mediated synaptic vesicle endocytosis in Sprague-Dawley rat synaptosomes assessed as uptake of FM 4-64 dye after 30 mins by a...


J Med Chem 53: 5267-80 (2010)


Article DOI: 10.1021/jm100442u
BindingDB Entry DOI: 10.7270/Q2PV6MBN
More data for this
Ligand-Target Pair
Dynamin-2


(Rattus norvegicus)
BDBM50055860
PNG
(CHEMBL3329967)
Show SMILES OC(=O)c1cccc(NC2=CC(=O)C(Nc3cccc(c3)C(O)=O)=CC2=O)c1 |c:24,t:9|
Show InChI InChI=1S/C20H14N2O6/c23-17-10-16(22-14-6-2-4-12(8-14)20(27)28)18(24)9-15(17)21-13-5-1-3-11(7-13)19(25)26/h1-10,21-22H,(H,25,26)(H,27,28)
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n/an/a 1.47E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of phosphatidylserine-stimulated GTPase activity of recombinant rat Dynamin 2 expressed in Sf21 cells assessed as inhibition of orthophosp...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446540
PNG
(CHEMBL3110184)
Show SMILES Cc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C20H15NO5S/c1-12-5-7-13(8-6-12)11-21-19(22)16-4-2-3-14-9-15(27(24,25)26)10-17(18(14)16)20(21)23/h2-10H,11H2,1H3,(H,24,25,26)/p-1
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n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446542
PNG
(CHEMBL3110179)
Show SMILES [O-]S(=O)(=O)c1cc2C(=O)N(Cc3ccc(Br)cc3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C19H12BrNO5S/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10H2,(H,24,25,26)/p-1
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n/an/a 1.50E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Dynamin-2


(Rattus norvegicus)
BDBM50268295
PNG
(2-Cyano-N-octyl-3-(1-(3-dimethylaminopropyl)-1H-in...)
Show SMILES CCCCCCCCNC(=O)C(=C\c1cn(CCCN(C)C)c2ccccc12)\C#N
Show InChI InChI=1S/C25H36N4O/c1-4-5-6-7-8-11-15-27-25(30)21(19-26)18-22-20-29(17-12-16-28(2)3)24-14-10-9-13-23(22)24/h9-10,13-14,18,20H,4-8,11-12,15-17H2,1-3H3,(H,27,30)/b21-18+
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n/an/a 1.60E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of rat full length His6-tagged dyn2 using phosphotidylserine as substrate after 90 mins by malachite green GTPase assay in presence of GTP


J Med Chem 56: 46-59 (2013)


Article DOI: 10.1021/jm300844m
BindingDB Entry DOI: 10.7270/Q2DJ5GZ3
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446546
PNG
(CHEMBL3110183)
Show SMILES COc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C20H15NO6S/c1-27-14-7-5-12(6-8-14)11-21-19(22)16-4-2-3-13-9-15(28(24,25)26)10-17(18(13)16)20(21)23/h2-10H,11H2,1H3,(H,24,25,26)/p-1
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n/an/a 1.60E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446551
PNG
(CHEMBL3110174)
Show SMILES Nc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C19H14N2O5S/c20-13-6-4-11(5-7-13)10-21-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10,20H2,(H,24,25,26)/p-1
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n/an/a 1.80E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dynamin-1


(Homo sapiens (Human))
BDBM50388827
PNG
(CHEMBL2062731)
Show SMILES SC1=NC(=O)C(S1)=Cc1cc(Cl)cc(Cl)c1 |w:7.8,t:1|
Show InChI InChI=1S/C10H5Cl2NOS2/c11-6-1-5(2-7(12)4-6)3-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)
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n/an/a 1.81E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dynamin1-mediated endocytosis in human U2OS cells assessed as inhibition of Texas red-Tf uptake incubated for 30 mins prior to Texas re...


ACS Med Chem Lett 3: 352-356 (2012)


Article DOI: 10.1021/ml200284s
BindingDB Entry DOI: 10.7270/Q2V40W83
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446547
PNG
(CHEMBL3110182)
Show SMILES Oc1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C19H13NO6S/c21-13-6-4-11(5-7-13)10-20-18(22)15-3-1-2-12-8-14(27(24,25)26)9-16(17(12)15)19(20)23/h1-9,21H,10H2,(H,24,25,26)/p-1
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n/an/a 2.20E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Dynamin-2


(Rattus norvegicus)
BDBM50055859
PNG
(CHEMBL3329966)
Show SMILES Oc1ccc(NC2=CC(=O)C(Nc3ccc(O)cc3)=CC2=O)cc1 |c:19,t:6|
Show InChI InChI=1S/C18H14N2O4/c21-13-5-1-11(2-6-13)19-15-9-18(24)16(10-17(15)23)20-12-3-7-14(22)8-4-12/h1-10,19-22H
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n/an/a 2.36E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of phosphatidylserine-stimulated GTPase activity of recombinant rat Dynamin 2 expressed in Sf21 cells assessed as inhibition of orthophosp...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50055859
PNG
(CHEMBL3329966)
Show SMILES Oc1ccc(NC2=CC(=O)C(Nc3ccc(O)cc3)=CC2=O)cc1 |c:19,t:6|
Show InChI InChI=1S/C18H14N2O4/c21-13-5-1-11(2-6-13)19-15-9-18(24)16(10-17(15)23)20-12-3-7-14(22)8-4-12/h1-10,19-22H
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n/an/a 3.60E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Dynamin 1 in serum-starved human U2OS cells assessed as inhibition of clathrin-mediated Alexa-495-cojugated transferrin uptake pretreat...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50318676
PNG
(4-Chloro-2-{[2-(4-hydroxymethylphenyl)-1,3-dioxo-2...)
Show SMILES OCc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C23H15ClN2O6/c24-14-4-8-17(23(31)32)19(10-14)25-20(28)13-3-7-16-18(9-13)22(30)26(21(16)29)15-5-1-12(11-27)2-6-15/h1-10,27H,11H2,(H,25,28)(H,31,32)
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n/an/a 4.00E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant dynamin 2 expressed in Sf9 cells after 30 mins by malachite green method


J Med Chem 53: 5267-80 (2010)


Article DOI: 10.1021/jm100442u
BindingDB Entry DOI: 10.7270/Q2PV6MBN
More data for this
Ligand-Target Pair
Dynamin-2


(Rattus norvegicus)
BDBM50055862
PNG
(CHEMBL3329969)
Show SMILES Oc1cccc(NC2=CC(=O)C(Nc3cccc(O)c3)=CC2=O)c1 |c:20,t:7|
Show InChI InChI=1S/C18H14N2O4/c21-13-5-1-3-11(7-13)19-15-9-18(24)16(10-17(15)23)20-12-4-2-6-14(22)8-12/h1-10,19-22H
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n/an/a 4.37E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of phosphatidylserine-stimulated GTPase activity of recombinant rat Dynamin 2 expressed in Sf21 cells assessed as inhibition of orthophosp...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50318675
PNG
(4-Chloro-2-{[2-(3-nitrophenyl)-1,3-dioxo-2,3-dihyd...)
Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H12ClN3O7/c23-12-5-7-16(22(30)31)18(9-12)24-19(27)11-4-6-15-17(8-11)21(29)25(20(15)28)13-2-1-3-14(10-13)26(32)33/h1-10H,(H,24,27)(H,30,31)
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n/an/a 6.30E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant dynamin 2 expressed in Sf9 cells after 30 mins by malachite green method


J Med Chem 53: 5267-80 (2010)


Article DOI: 10.1021/jm100442u
BindingDB Entry DOI: 10.7270/Q2PV6MBN
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50318674
PNG
(4-Chloro-2-{[2-(2-hydroxyphenyl)-1,3-dioxo-2,3-dih...)
Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1O
Show InChI InChI=1S/C22H13ClN2O6/c23-12-6-8-14(22(30)31)16(10-12)24-19(27)11-5-7-13-15(9-11)21(29)25(20(13)28)17-3-1-2-4-18(17)26/h1-10,26H,(H,24,27)(H,30,31)
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n/an/a 7.10E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant dynamin 2 expressed in Sf9 cells after 30 mins by malachite green method


J Med Chem 53: 5267-80 (2010)


Article DOI: 10.1021/jm100442u
BindingDB Entry DOI: 10.7270/Q2PV6MBN
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446553
PNG
(CHEMBL3110161)
Show SMILES OC(=O)c1ccc(N2C(=O)c3cccc4cc(cc(C2=O)c34)[N+]([O-])=O)c(O)c1
Show InChI InChI=1S/C19H10N2O7/c22-15-7-10(19(25)26)4-5-14(15)20-17(23)12-3-1-2-9-6-11(21(27)28)8-13(16(9)12)18(20)24/h1-8,22H,(H,25,26)
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n/an/a 8.00E+4n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446556
PNG
(CHEMBL3110158)
Show SMILES Nc1ccc(CN2C(=O)c3cccc4c(N)c(cc(C2=O)c34)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C19H15N3O5S/c20-11-6-4-10(5-7-11)9-22-18(23)13-3-1-2-12-16(13)14(19(22)24)8-15(17(12)21)28(25,26)27/h1-8H,9,20-21H2,(H,25,26,27)/p-1
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n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446552
PNG
(CHEMBL3110162)
Show SMILES OC(=O)c1cc(O)ccc1N1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C19H10N2O7/c22-11-4-5-15(13(8-11)19(25)26)20-17(23)12-3-1-2-9-6-10(21(27)28)7-14(16(9)12)18(20)24/h1-8,22H,(H,25,26)
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n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50388830
PNG
(CHEMBL2062756)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2csc3ccc(Cl)cc23)C1=O
Show InChI InChI=1S/C14H8ClNO3S3/c15-8-1-2-10-9(4-8)7(6-21-10)3-11-13(19)16(5-12(17)18)14(20)22-11/h1-4,6H,5H2,(H,17,18)/b11-3-
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dynamin1-mediated endocytosis in human U2OS cells assessed as inhibition of Texas red-Tf uptake incubated for 30 mins prior to Texas re...


ACS Med Chem Lett 3: 352-356 (2012)


Article DOI: 10.1021/ml200284s
BindingDB Entry DOI: 10.7270/Q2V40W83
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446550
PNG
(CHEMBL3110177)
Show SMILES Nc1cccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)c1
Show InChI InChI=1S/C19H14N2O5S/c20-13-5-1-3-11(7-13)10-21-18(22)15-6-2-4-12-8-14(27(24,25)26)9-16(17(12)15)19(21)23/h1-9H,10,20H2,(H,24,25,26)/p-1
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n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446541
PNG
(CHEMBL3110185)
Show SMILES CN(C)c1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C21H18N2O5S/c1-22(2)15-8-6-13(7-9-15)12-23-20(24)17-5-3-4-14-10-16(29(26,27)28)11-18(19(14)17)21(23)25/h3-11H,12H2,1-2H3,(H,26,27,28)/p-1
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n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446545
PNG
(CHEMBL3110186)
Show SMILES OC(=O)c1ccc(CN2C(=O)c3cccc4cc(cc(C2=O)c34)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C20H13NO7S/c22-18-15-3-1-2-13-8-14(29(26,27)28)9-16(17(13)15)19(23)21(18)10-11-4-6-12(7-5-11)20(24)25/h1-9H,10H2,(H,24,25)(H,26,27,28)/p-1
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n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446555
PNG
(CHEMBL3110160)
Show SMILES CCN1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S([O-])(=O)=O
Show InChI InChI=1S/C14H12N2O5S/c1-2-16-13(17)8-5-3-4-7-11(8)9(14(16)18)6-10(12(7)15)22(19,20)21/h3-6H,2,15H2,1H3,(H,19,20,21)/p-1
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n/an/a 1.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50318677
PNG
(4-Chloro-2-{[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dih...)
Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(O)cc1
Show InChI InChI=1S/C22H13ClN2O6/c23-12-2-8-16(22(30)31)18(10-12)24-19(27)11-1-7-15-17(9-11)21(29)25(20(15)28)13-3-5-14(26)6-4-13/h1-10,26H,(H,24,27)(H,30,31)
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n/an/a 1.14E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant dynamin 2 expressed in Sf9 cells after 30 mins by malachite green method


J Med Chem 53: 5267-80 (2010)


Article DOI: 10.1021/jm100442u
BindingDB Entry DOI: 10.7270/Q2PV6MBN
More data for this
Ligand-Target Pair
Dynamin-1


(Rattus norvegicus)
BDBM50318674
PNG
(4-Chloro-2-{[2-(2-hydroxyphenyl)-1,3-dioxo-2,3-dih...)
Show SMILES OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1O
Show InChI InChI=1S/C22H13ClN2O6/c23-12-6-8-14(22(30)31)16(10-12)24-19(27)11-5-7-13-15(9-11)21(29)25(20(13)28)17-3-1-2-4-18(17)26/h1-10,26H,(H,24,27)(H,30,31)
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n/an/a 1.19E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dynamin 1-mediated synaptic vesicle endocytosis in Sprague-Dawley rat synaptosomes assessed as uptake of FM 4-64 dye after 30 mins by a...


J Med Chem 53: 5267-80 (2010)


Article DOI: 10.1021/jm100442u
BindingDB Entry DOI: 10.7270/Q2PV6MBN
More data for this
Ligand-Target Pair
Clathrin heavy chain 1


(Homo sapiens (Human))
BDBM50446554
PNG
(CHEMBL3110159)
Show SMILES CCCN1C(=O)c2cccc3c(N)c(cc(C1=O)c23)S([O-])(=O)=O
Show InChI InChI=1S/C15H14N2O5S/c1-2-6-17-14(18)9-5-3-4-8-12(9)10(15(17)19)7-11(13(8)16)23(20,21)22/h3-5,7H,2,6,16H2,1H3,(H,20,21,22)/p-1
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n/an/a 1.20E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged clathrin heavy chain (unknown origin) after 1 hr by ELISA


J Med Chem 57: 131-43 (2014)


Article DOI: 10.1021/jm4015263
BindingDB Entry DOI: 10.7270/Q2HQ41DT
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50055863
PNG
(CHEMBL2252571)
Show SMILES O=C1C=C(NCc2ccccc2)C(=O)C=C1NCc1ccccc1 |c:15,t:2|
Show InChI InChI=1S/C20H18N2O2/c23-19-12-18(22-14-16-9-5-2-6-10-16)20(24)11-17(19)21-13-15-7-3-1-4-8-15/h1-12,21-22H,13-14H2
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n/an/a 1.20E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Dynamin 1 in serum-starved human U2OS cells assessed as inhibition of clathrin-mediated Alexa-495-cojugated transferrin uptake pretreat...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50266767
PNG
(2,2'-(3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(az...)
Show SMILES OC(=O)c1ccccc1NC1=CC(=O)C(Nc2ccccc2C(O)=O)=CC1=O |c:26,t:11|
Show InChI InChI=1S/C20H14N2O6/c23-17-10-16(22-14-8-4-2-6-12(14)20(27)28)18(24)9-15(17)21-13-7-3-1-5-11(13)19(25)26/h1-10,21-22H,(H,25,26)(H,27,28)
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n/an/a 1.62E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Dynamin 1 in serum-starved human U2OS cells assessed as inhibition of clathrin-mediated Alexa-495-cojugated transferrin uptake pretreat...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50055861
PNG
(CHEMBL3329968)
Show SMILES OC(=O)c1ccc(NC2=CC(=O)C(Nc3ccc(cc3)C(O)=O)=CC2=O)cc1 |c:23,t:8|
Show InChI InChI=1S/C20H14N2O6/c23-17-10-16(22-14-7-3-12(4-8-14)20(27)28)18(24)9-15(17)21-13-5-1-11(2-6-13)19(25)26/h1-10,21-22H,(H,25,26)(H,27,28)
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n/an/a 2.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Dynamin 1 in serum-starved human U2OS cells assessed as inhibition of clathrin-mediated Alexa-495-cojugated transferrin uptake pretreat...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Dynamin-1


(Homo sapiens (Human))
BDBM50055860
PNG
(CHEMBL3329967)
Show SMILES OC(=O)c1cccc(NC2=CC(=O)C(Nc3cccc(c3)C(O)=O)=CC2=O)c1 |c:24,t:9|
Show InChI InChI=1S/C20H14N2O6/c23-17-10-16(22-14-6-2-4-12(8-14)20(27)28)18(24)9-15(17)21-13-5-1-3-11(7-13)19(25)26/h1-10,21-22H,(H,25,26)(H,27,28)
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n/an/a>3.00E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of Dynamin 1 in serum-starved human U2OS cells assessed as inhibition of clathrin-mediated Alexa-495-cojugated transferrin uptake pretreat...


Eur J Med Chem 85: 191-206 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.070
BindingDB Entry DOI: 10.7270/Q28G8NCR
More data for this
Ligand-Target Pair
Dynamin-1


(Rattus norvegicus)
BDBM50318676
PNG
(4-Chloro-2-{[2-(4-hydroxymethylphenyl)-1,3-dioxo-2...)
Show SMILES OCc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cc(Cl)ccc1C(O)=O
Show InChI InChI=1S/C23H15ClN2O6/c24-14-4-8-17(23(31)32)19(10-14)25-20(28)13-3-7-16-18(9-13)22(30)26(21(16)29)15-5-1-12(11-27)2-6-15/h1-10,27H,11H2,(H,25,28)(H,31,32)
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n/an/a 6.90E+5n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dynamin 1-mediated synaptic vesicle endocytosis in Sprague-Dawley rat synaptosomes assessed as uptake of FM 4-64 dye after 30 mins by a...


J Med Chem 53: 5267-80 (2010)


Article DOI: 10.1021/jm100442u
BindingDB Entry DOI: 10.7270/Q2PV6MBN
More data for this
Ligand-Target Pair