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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P68371   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tubulin beta-4B chain


(Homo sapiens)
BDBM50410800
PNG
(CHEMBL5206193)
Show SMILES CNCCO\N=C(\C)CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H31F6N5O2/c1-18(37-41-10-7-35-2)16-38-8-9-39(23(17-38)13-20-15-36-25-6-4-3-5-24(20)25)26(40)19-11-21(27(29,30)31)14-22(12-19)28(32,33)34/h3-6,11-12,14-15,23,35-36H,7-10,13,16-17H2,1-2H3/b37-18-/t23-/m1/s1
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n/an/a 108n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against FAAH in Wistar rat brain homogenate


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-4B chain


(Homo sapiens)
BDBM50475439
PNG
(CHEMBL383775)
Show SMILES COc1cc(cc(Br)c1OC)C1C(C#N)=C(N)Oc2cc(N)ccc12 |t:15|
Show InChI InChI=1S/C18H16BrN3O3/c1-23-15-6-9(5-13(19)17(15)24-2)16-11-4-3-10(21)7-14(11)25-18(22)12(16)8-20/h3-7,16H,21-22H2,1-2H3
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n/an/a<500n/an/an/an/an/an/a



Maxim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin using tubulin polymerization assay


Bioorg Med Chem Lett 15: 4745-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.066
BindingDB Entry DOI: 10.7270/Q27M0BP3
More data for this
Ligand-Target Pair
Tubulin beta-4B chain


(Homo sapiens)
BDBM50410801
PNG
(CHEMBL5276251)
Show SMILES C\C(CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN
Show InChI InChI=1S/C27H29F6N5O2/c1-17(36-40-9-6-34)15-37-7-8-38(22(16-37)12-19-14-35-24-5-3-2-4-23(19)24)25(39)18-10-20(26(28,29)30)13-21(11-18)27(31,32)33/h2-5,10-11,13-14,22,35H,6-9,12,15-16,34H2,1H3/b36-17-/t22-/m1/s1
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n/an/a 5.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against FAAH in Wistar rat brain homogenate


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-4B chain


(Homo sapiens)
BDBM50594719
PNG
(CHEMBL5186583)
Show SMILES CCc1nnc2c(Nc3ccc(cc3)C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)nc3ccccc3n12
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n/an/a 8.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against FAAH in Wistar rat brain homogenate


Citation and Details
More data for this
Ligand-Target Pair
Tubulin beta-4B chain


(Homo sapiens)
BDBM50475438
PNG
(CHEMBL364477)
Show SMILES COc1cc(cc(Br)c1OC)C1C(C#N)=C(N)Oc2c(N)c(N)ccc12 |t:15|
Show InChI InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3
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n/an/a<5.00E+5n/an/an/an/an/an/a



Maxim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin using tubulin polymerization assay


Bioorg Med Chem Lett 15: 4745-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.066
BindingDB Entry DOI: 10.7270/Q27M0BP3
More data for this
Ligand-Target Pair