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Compile Data Set for Download or QSAR

Found 37 hits of ph data with Target = 'kinesin spindle protein'   
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
kinesin spindle protein


(Homo sapiens)
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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1.70n/an/an/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 1n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 22n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 36n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 36n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 162n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM36350
PNG
(6-[4-(Trifluoromethyl)phenyl]-3,4-dihydro-2(1H)-qu...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
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n/an/a 2.09E+3n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.300n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.310n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 0.180n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM36351
PNG
(CID148124 | Docetaxel)
Show SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C
Show InChI InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1
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n/an/a 8.70n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 0.460n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM50220156
PNG
((R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-ox...)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)c(F)c1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H32ClFN4O2/c1-19(2)27(35(15-7-14-33)29(37)22-11-10-20(3)25(32)16-22)28-34-26-17-23(31)12-13-24(26)30(38)36(28)18-21-8-5-4-6-9-21/h4-6,8-13,16-17,19,27H,7,14-15,18,33H2,1-3H3/t27-/m1/s1
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n/an/a 0.720n/an/an/an/a6.8n/a



GlaxoSmithKline



Assay Description
Cell proliferation assay for wild-type cells


Nat Chem Biol 3: 722-6 (2007)


Article DOI: 10.1038/nchembio.2007.34
BindingDB Entry DOI: 10.7270/Q2PK0DHC
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84580
PNG
(VS-91)
Show SMILES Cc1ccc2C(NC(=S)Nc2c1)c1cccc(O)c1
Show InChI InChI=1S/C15H14N2OS/c1-9-5-6-12-13(7-9)16-15(19)17-14(12)10-3-2-4-11(18)8-10/h2-8,14,18H,1H3,(H2,16,17,19)
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n/an/a 7.59E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84579
PNG
(VS-77)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2ccc(F)cc12
Show InChI InChI=1S/C14H11FN2OS/c15-9-4-5-12-11(7-9)13(17-14(19)16-12)8-2-1-3-10(18)6-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 8.04E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84578
PNG
(VS-17)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2ccc(Br)cc12
Show InChI InChI=1S/C14H11BrN2OS/c15-9-4-5-12-11(7-9)13(17-14(19)16-12)8-2-1-3-10(18)6-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 5.75E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84577
PNG
(VS-94)
Show SMILES Cc1ccc2NC(=S)NC(c3cccc(O)c3)c2c1
Show InChI InChI=1S/C15H14N2OS/c1-9-5-6-13-12(7-9)14(17-15(19)16-13)10-3-2-4-11(18)8-10/h2-8,14,18H,1H3,(H2,16,17,19)
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n/an/a 2.73E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84576
PNG
(VS-87)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2cc(F)c(F)cc12
Show InChI InChI=1S/C14H10F2N2OS/c15-10-5-9-12(6-11(10)16)17-14(20)18-13(9)7-2-1-3-8(19)4-7/h1-6,13,19H,(H2,17,18,20)
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n/an/a 2.74E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84575
PNG
(VS-54)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2cc(F)ccc12
Show InChI InChI=1S/C14H11FN2OS/c15-9-4-5-11-12(7-9)16-14(19)17-13(11)8-2-1-3-10(18)6-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 1.81E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84574
PNG
(VS-12)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)15-14(18)16-13/h1-8,13,17H,(H2,15,16,18)
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n/an/a 7.60E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84573
PNG
(VS-83)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2cccc(F)c12
Show InChI InChI=1S/C14H11FN2OS/c15-10-5-2-6-11-12(10)13(17-14(19)16-11)8-3-1-4-9(18)7-8/h1-7,13,18H,(H2,16,17,19)
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PubMed
n/an/a 1.17E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM84572
PNG
(VS-42)
Show SMILES Oc1cccc(c1)C1NC(=S)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C14H11ClN2OS/c15-9-4-5-12-11(7-9)13(17-14(19)16-12)8-2-1-3-10(18)6-8/h1-7,13,18H,(H2,16,17,19)
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n/an/a 5.77E+3n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM50198309
PNG
((S)-4-(3-Hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4...)
Show SMILES CCOC(=O)C1[C@@H](NC(=S)N=C1C)c1cccc(O)c1
Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20)/t11?,12-/m0/s1
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Article
PubMed
n/an/a 2.07E+4n/an/an/an/a6.825



University of Leipzig



Assay Description
The ATPase activity of the Eg5 motor domain was measured by using the malachite green assay.


Chembiochem 6: 2005-13 (2005)


Article DOI: 10.1002/cbic.200500168
BindingDB Entry DOI: 10.7270/Q2XW4HB5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
kinesin spindle protein


(Homo sapiens)
BDBM103304
PNG
(US8546434, 1)
Show SMILES CC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)C1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F
Show InChI InChI=1S/C30H36F3N5O2/c1-30(2,3)26(37(18-20-15-34-16-24(20)33)29(39)25-10-7-13-40-25)28-35-27(22-14-21(31)11-12-23(22)32)36-38(28)17-19-8-5-4-6-9-19/h4-6,8-9,11-12,14,20,24-26,34H,7,10,13,15-18H2,1-3H3/t20-,24-,25?,26-/m0/s1
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n/an/a 0.960n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
In vitro activity assay using KSP.


US Patent US8546434 (2013)


BindingDB Entry DOI: 10.7270/Q25D8QG9
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM103305
PNG
(US8546434, 2)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C32H41F3N6O2/c1-20-16-39(17-21(2)43-20)31(42)40(19-23-14-36-15-27(23)35)28(32(3,4)5)30-37-29(25-13-24(33)11-12-26(25)34)38-41(30)18-22-9-7-6-8-10-22/h6-13,20-21,23,27-28,36H,14-19H2,1-5H3/t20-,21+,23-,27-,28-/m0/s1
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n/an/a 0.830n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
In vitro activity assay using KSP.


US Patent US8546434 (2013)


BindingDB Entry DOI: 10.7270/Q25D8QG9
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM103306
PNG
(US8546434, 3)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C32H40F4N6O2/c1-19-15-40(16-20(2)44-19)31(43)41(18-22-13-37-14-27(22)36)28(32(3,4)5)30-38-29(25-12-24(34)9-10-26(25)35)39-42(30)17-21-7-6-8-23(33)11-21/h6-12,19-20,22,27-28,37H,13-18H2,1-5H3/t19-,20+,22-,27-,28-/m0/s1
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n/an/a 0.740n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
In vitro activity assay using KSP.


US Patent US8546434 (2013)


BindingDB Entry DOI: 10.7270/Q25D8QG9
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM123474
PNG
(US8748626, 7)
Show SMILES C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@H](c1nc(oc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C28H34F3N3O3/c1-17(35)27(36)34(13-12-20(32)16-29)25(28(2,3)4)24-23(14-18-8-6-5-7-9-18)37-26(33-24)21-15-19(30)10-11-22(21)31/h5-11,15,17,20,25,35H,12-14,16,32H2,1-4H3/t17-,20-,25+/m0/s1
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n/an/a 631n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were pu...


US Patent US8748626 (2014)


BindingDB Entry DOI: 10.7270/Q2JS9P40
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM123473
PNG
(US8748626, 6)
Show SMILES C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@H](c1nc(oc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C29H34F3N3O3/c1-17(36)28(37)35(16-19-14-33-15-23(19)32)26(29(2,3)4)25-24(12-18-8-6-5-7-9-18)38-27(34-25)21-13-20(30)10-11-22(21)31/h5-11,13,17,19,23,26,33,36H,12,14-16H2,1-4H3/t17-,19-,23-,26+/m0/s1
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n/an/a 1.00E+3n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were pu...


US Patent US8748626 (2014)


BindingDB Entry DOI: 10.7270/Q2JS9P40
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM123472
PNG
(US8748626, 5)
Show SMILES C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(oc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C28H34F3N3O3/c1-17(35)27(36)34(13-12-20(32)16-29)25(28(2,3)4)24-23(14-18-8-6-5-7-9-18)37-26(33-24)21-15-19(30)10-11-22(21)31/h5-11,15,17,20,25,35H,12-14,16,32H2,1-4H3/t17-,20-,25-/m0/s1
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n/an/a 2.54n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were pu...


US Patent US8748626 (2014)


BindingDB Entry DOI: 10.7270/Q2JS9P40
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM123475
PNG
(US8748626, 8)
Show SMILES C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@H](c1nc(sc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C28H34F3N3O2S/c1-17(35)27(36)34(13-12-20(32)16-29)25(28(2,3)4)24-23(14-18-8-6-5-7-9-18)37-26(33-24)21-15-19(30)10-11-22(21)31/h5-11,15,17,20,25,35H,12-14,16,32H2,1-4H3/t17-,20-,25+/m0/s1
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n/an/a 216n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were pu...


US Patent US8748626 (2014)


BindingDB Entry DOI: 10.7270/Q2JS9P40
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM123470
PNG
(US8748626, 3)
Show SMILES C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(sc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C28H34F3N3O2S/c1-17(35)27(36)34(13-12-20(32)16-29)25(28(2,3)4)24-23(14-18-8-6-5-7-9-18)37-26(33-24)21-15-19(30)10-11-22(21)31/h5-11,15,17,20,25,35H,12-14,16,32H2,1-4H3/t17-,20-,25-/m0/s1
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n/an/a 2.60n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were pu...


US Patent US8748626 (2014)


BindingDB Entry DOI: 10.7270/Q2JS9P40
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM123469
PNG
(US8748626, 2)
Show SMILES CC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1)c1nc(sc1Cc1ccccc1)-c1cc(F)ccc1F
Show InChI InChI=1S/C31H36F3N3O2S/c1-31(2,3)28(37(18-20-16-35-17-24(20)34)30(38)25-10-7-13-39-25)27-26(14-19-8-5-4-6-9-19)40-29(36-27)22-15-21(32)11-12-23(22)33/h4-6,8-9,11-12,15,20,24-25,28,35H,7,10,13-14,16-18H2,1-3H3/t20-,24-,25-,28-/m0/s1
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n/an/a 10n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were pu...


US Patent US8748626 (2014)


BindingDB Entry DOI: 10.7270/Q2JS9P40
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM123468
PNG
(US8748626, 1)
Show SMILES C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(sc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C29H34F3N3O2S/c1-17(36)28(37)35(16-19-14-33-15-23(19)32)26(29(2,3)4)25-24(12-18-8-6-5-7-9-18)38-27(34-25)21-13-20(30)10-11-22(21)31/h5-11,13,17,19,23,26,33,36H,12,14-16H2,1-4H3/t17-,19-,23-,26-/m0/s1
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n/an/a 0.840n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were pu...


US Patent US8748626 (2014)


BindingDB Entry DOI: 10.7270/Q2JS9P40
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM103309
PNG
(US8546434, 6)
Show SMILES C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C28H33F4N5O2/c1-16(38)27(39)36(15-18-12-33-13-23(18)32)24(28(2,3)4)26-34-25(21-11-20(30)8-9-22(21)31)35-37(26)14-17-6-5-7-19(29)10-17/h5-11,16,18,23-24,33,38H,12-15H2,1-4H3/t16-,18-,23-,24-/m0/s1
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n/an/a 0.830n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
In vitro activity assay using KSP.


US Patent US8546434 (2013)


BindingDB Entry DOI: 10.7270/Q25D8QG9
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM103308
PNG
(US8546434, 5)
Show SMILES CC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)C1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F
Show InChI InChI=1S/C30H35F4N5O2/c1-30(2,3)26(38(17-19-14-35-15-24(19)34)29(40)25-8-5-11-41-25)28-36-27(22-13-21(32)9-10-23(22)33)37-39(28)16-18-6-4-7-20(31)12-18/h4,6-7,9-10,12-13,19,24-26,35H,5,8,11,14-17H2,1-3H3/t19-,24-,25?,26-/m0/s1
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Novartis AG

US Patent


Assay Description
In vitro activity assay using KSP.


US Patent US8546434 (2013)


BindingDB Entry DOI: 10.7270/Q25D8QG9
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM103307
PNG
(US8546434, 4)
Show SMILES C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C28H34F3N5O2/c1-17(37)27(38)35(16-19-13-32-14-23(19)31)24(28(2,3)4)26-33-25(21-12-20(29)10-11-22(21)30)34-36(26)15-18-8-6-5-7-9-18/h5-12,17,19,23-24,32,37H,13-16H2,1-4H3/t17-,19-,23-,24-/m0/s1
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Novartis AG

US Patent


Assay Description
In vitro activity assay using KSP.


US Patent US8546434 (2013)


BindingDB Entry DOI: 10.7270/Q25D8QG9
More data for this
Ligand-Target Pair
kinesin spindle protein


(Homo sapiens)
BDBM123471
PNG
(US8748626, 4)
Show SMILES C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(oc1Cc1ccccc1)-c1cc(F)ccc1F)C(C)(C)C
Show InChI InChI=1S/C29H34F3N3O3/c1-17(36)28(37)35(16-19-14-33-15-23(19)32)26(29(2,3)4)25-24(12-18-8-6-5-7-9-18)38-27(34-25)21-13-20(30)10-11-22(21)31/h5-11,13,17,19,23,26,33,36H,12,14-16H2,1-4H3/t17-,19-,23-,26-/m0/s1
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n/an/a 7.18n/an/an/an/a7.537



Novartis AG

US Patent


Assay Description
This example provides a representative in vitro assay for determining KSP activity in vitro. Purified microtubules obtained from bovine brain were pu...


US Patent US8748626 (2014)


BindingDB Entry DOI: 10.7270/Q2JS9P40
More data for this
Ligand-Target Pair