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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'remusat' and Initial = 'v'   
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
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50170567
PNG
((3-Amino-6-methyl-benzo[b]thiophen-2-yl)-(3,4,5-tr...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2cc(C)ccc2c1N
Show InChI InChI=1S/C19H19NO4S/c1-10-5-6-12-15(7-10)25-19(16(12)20)17(21)11-8-13(22-2)18(24-4)14(9-11)23-3/h5-9H,20H2,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50170572
PNG
((2-Amino-benzo[b]thiophen-3-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(N)sc2ccccc12
Show InChI InChI=1S/C18H17NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)15-11-6-4-5-7-14(11)24-18(15)19/h4-9H,19H2,1-3H3
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PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50170571
PNG
((3-Amino-benzo[b]thiophen-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2ccccc2c1N
Show InChI InChI=1S/C18H17NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)18-15(19)11-6-4-5-7-14(11)24-18/h4-9H,19H2,1-3H3
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PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Tubulin beta chain [1-43]


(Leishmania donovani)
BDBM50170569
PNG
((2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1c(N)sc2CCCCc12
Show InChI InChI=1S/C18H21NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)15-11-6-4-5-7-14(11)24-18(15)19/h8-9H,4-7,19H2,1-3H3
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair