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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'aneja' and Initial = 'r'   
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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50069693
PNG
(CHEMBL3400854)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC(=O)NCc1ccccc1)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C29H27BrN2O8/c1-32-12-11-16-19(25(36-3)27-26(21(16)30)37-14-38-27)22(32)23-17-9-10-18(35-2)24(20(17)28(33)39-23)40-29(34)31-13-15-7-5-4-6-8-15/h4-10,22-23H,11-14H2,1-3H3,(H,31,34)/t22-,23+/m1/s1
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PubMed
n/an/an/a 2.10E+4n/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Binding affinity to bovine brain tubulin assessed as reduction in tubulin intrinsic tryptophan fluorescence intensity incubated for 45 mins by spectr...


Bioorg Med Chem Lett 25: 2133-40 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.076
BindingDB Entry DOI: 10.7270/Q2SX6FXT
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50069696
PNG
(CHEMBL3400851)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2O)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C21H20BrNO7/c1-23-7-6-9-12(18(27-3)20-19(14(9)22)28-8-29-20)15(23)17-10-4-5-11(26-2)16(24)13(10)21(25)30-17/h4-5,15,17,24H,6-8H2,1-3H3/t15-,17+/m1/s1
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n/an/an/a 5.50E+4n/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Binding affinity to bovine brain tubulin assessed as reduction in tubulin intrinsic tryptophan fluorescence intensity incubated for 45 mins by spectr...


Bioorg Med Chem Lett 25: 2133-40 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.076
BindingDB Entry DOI: 10.7270/Q2SX6FXT
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50069695
PNG
(CHEMBL3400852)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC(C)=O)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C23H22BrNO8/c1-10(26)32-19-13(28-3)6-5-12-15(19)23(27)33-18(12)17-14-11(7-8-25(17)2)16(24)21-22(20(14)29-4)31-9-30-21/h5-6,17-18H,7-9H2,1-4H3/t17-,18+/m1/s1
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UniProtKB/TrEMBL

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n/an/an/a 4.40E+4n/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Binding affinity to bovine brain tubulin assessed as reduction in tubulin intrinsic tryptophan fluorescence intensity incubated for 45 mins by spectr...


Bioorg Med Chem Lett 25: 2133-40 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.076
BindingDB Entry DOI: 10.7270/Q2SX6FXT
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50069694
PNG
(CHEMBL3400853)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC(=O)NCC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C24H25BrN2O8/c1-5-26-24(29)35-19-13(30-3)7-6-12-15(19)23(28)34-18(12)17-14-11(8-9-27(17)2)16(25)21-22(20(14)31-4)33-10-32-21/h6-7,17-18H,5,8-10H2,1-4H3,(H,26,29)/t17-,18+/m1/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
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Article
PubMed
n/an/an/a 2.60E+4n/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Binding affinity to bovine brain tubulin assessed as reduction in tubulin intrinsic tryptophan fluorescence intensity incubated for 45 mins by spectr...


Bioorg Med Chem Lett 25: 2133-40 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.076
BindingDB Entry DOI: 10.7270/Q2SX6FXT
More data for this
Ligand-Target Pair