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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50044952   
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-like protein KIFC1


(Homo sapiens (Human))
BDBM50037891
PNG
(CHEMBL3358263)
Show SMILES C\C=C\c1cc(ccc1C)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C
Show InChI InChI=1S/C31H34F3N3O2/c1-5-7-24-19-26(13-10-21(24)2)29(38)36-28(30(39)35-16-17-37(3)4)18-22-11-14-23(15-12-22)25-8-6-9-27(20-25)31(32,33)34/h5-15,19-20,28H,16-18H2,1-4H3,(H,35,39)(H,36,38)/b7-5+
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n/an/a 140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037961
PNG
(CHEMBL3358276)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C |r|
Show InChI InChI=1S/C29H34F3N3O2S/c1-5-7-22-18-26(38-19(22)2)28(37)34-25(27(36)33-14-15-35(3)4)16-20-10-12-21(13-11-20)23-8-6-9-24(17-23)29(30,31)32/h6,8-13,17-18,25H,5,7,14-16H2,1-4H3,(H,33,36)(H,34,37)/t25-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037893
PNG
(CHEMBL3358261)
Show SMILES CCCc1cc(sc1C)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C
Show InChI InChI=1S/C29H34F3N3O2S/c1-5-7-22-18-26(38-19(22)2)28(37)34-25(27(36)33-14-15-35(3)4)16-20-10-12-21(13-11-20)23-8-6-9-24(17-23)29(30,31)32/h6,8-13,17-18,25H,5,7,14-16H2,1-4H3,(H,33,36)(H,34,37)
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n/an/a 180n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037957
PNG
(CHEMBL3358280)
Show SMILES C\C=C\c1cc(ccc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)N[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C31H32F3N3O2/c1-3-5-23-17-25(11-8-20(23)2)29(38)37-28(30(39)36-27-14-15-35-19-27)16-21-9-12-22(13-10-21)24-6-4-7-26(18-24)31(32,33)34/h3-13,17-18,27-28,35H,14-16,19H2,1-2H3,(H,36,39)(H,37,38)/b5-3+/t27-,28-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037890
PNG
(CHEMBL3358264)
Show SMILES CCCc1cc(ccc1C)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C
Show InChI InChI=1S/C31H36F3N3O2/c1-5-7-24-19-26(13-10-21(24)2)29(38)36-28(30(39)35-16-17-37(3)4)18-22-11-14-23(15-12-22)25-8-6-9-27(20-25)31(32,33)34/h6,8-15,19-20,28H,5,7,16-18H2,1-4H3,(H,35,39)(H,36,38)
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n/an/a 250n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037967
PNG
(CHEMBL3358270)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)N[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C28H31F3N4O3S/c1-3-5-19-14-25(39-17(19)2)27(37)35-24(26(36)34-21-10-11-32-16-21)12-18-8-9-23(33-15-18)20-6-4-7-22(13-20)38-28(29,30)31/h4,6-9,13-15,21,24,32H,3,5,10-12,16H2,1-2H3,(H,34,36)(H,35,37)/t21-,24-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037892
PNG
(CHEMBL3358262)
Show SMILES CN(C)CCNC(=O)C(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)NC(=O)c1cc(C)oc1C1CC1
Show InChI InChI=1S/C29H32F3N3O3/c1-18-15-24(26(38-18)21-11-12-21)27(36)34-25(28(37)33-13-14-35(2)3)16-19-7-9-20(10-8-19)22-5-4-6-23(17-22)29(30,31)32/h4-10,15,17,21,25H,11-14,16H2,1-3H3,(H,33,37)(H,34,36)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037966
PNG
(CHEMBL3358271)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)NCCN(C)C |r|
Show InChI InChI=1S/C28H33F3N4O3S/c1-5-7-20-16-25(39-18(20)2)27(37)34-24(26(36)32-12-13-35(3)4)14-19-10-11-23(33-17-19)21-8-6-9-22(15-21)38-28(29,30)31/h6,8-11,15-17,24H,5,7,12-14H2,1-4H3,(H,32,36)(H,34,37)/t24-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037956
PNG
(CHEMBL3358281)
Show SMILES C\C=C\c1cc(ccc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)N[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C31H32F3N3O2/c1-3-5-23-17-25(11-8-20(23)2)29(38)37-28(30(39)36-27-14-15-35-19-27)16-21-9-12-22(13-10-21)24-6-4-7-26(18-24)31(32,33)34/h3-13,17-18,27-28,35H,14-16,19H2,1-2H3,(H,36,39)(H,37,38)/b5-3+/t27-,28+/m1/s1
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n/an/a 520n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037965
PNG
(CHEMBL3358272)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C |r|
Show InChI InChI=1S/C28H33F3N4O2S/c1-5-7-20-16-25(38-18(20)2)27(37)34-24(26(36)32-12-13-35(3)4)14-19-10-11-23(33-17-19)21-8-6-9-22(15-21)28(29,30)31/h6,8-11,15-17,24H,5,7,12-14H2,1-4H3,(H,32,36)(H,34,37)/t24-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037889
PNG
(CHEMBL3358265)
Show SMILES COCc1cc(ccc1OC)C(=O)NC(Cc1ccc(cc1)-c1cccc(OC(F)(F)F)c1)C(=O)NCCN(C)C
Show InChI InChI=1S/C30H34F3N3O5/c1-36(2)15-14-34-29(38)26(35-28(37)23-12-13-27(40-4)24(17-23)19-39-3)16-20-8-10-21(11-9-20)22-6-5-7-25(18-22)41-30(31,32)33/h5-13,17-18,26H,14-16,19H2,1-4H3,(H,34,38)(H,35,37)
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n/an/a 960n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037896
PNG
(CHEMBL3358258)
Show SMILES CCOc1cc(ccc1OC)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C
Show InChI InChI=1S/C30H34F3N3O4/c1-5-40-27-19-23(13-14-26(27)39-4)28(37)35-25(29(38)34-15-16-36(2)3)17-20-9-11-21(12-10-20)22-7-6-8-24(18-22)30(31,32)33/h6-14,18-19,25H,5,15-17H2,1-4H3,(H,34,38)(H,35,37)
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037959
PNG
(CHEMBL3358278)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C25H24F3NO3S/c1-3-5-18-14-22(33-15(18)2)23(30)29-21(24(31)32)12-16-8-10-17(11-9-16)19-6-4-7-20(13-19)25(26,27)28/h4,6-11,13-14,21H,3,5,12H2,1-2H3,(H,29,30)(H,31,32)/t21-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037897
PNG
(CHEMBL3358257)
Show SMILES COCc1cc(ccc1OC)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C
Show InChI InChI=1S/C30H34F3N3O4/c1-36(2)15-14-34-29(38)26(35-28(37)23-12-13-27(40-4)24(17-23)19-39-3)16-20-8-10-21(11-9-20)22-6-5-7-25(18-22)30(31,32)33/h5-13,17-18,26H,14-16,19H2,1-4H3,(H,34,38)(H,35,37)
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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037962
PNG
(CHEMBL3358275)
Show SMILES COCc1cc(ccc1OC)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C |r|
Show InChI InChI=1S/C30H34F3N3O4/c1-36(2)15-14-34-29(38)26(35-28(37)23-12-13-27(40-4)24(17-23)19-39-3)16-20-8-10-21(11-9-20)22-6-5-7-25(18-22)30(31,32)33/h5-13,17-18,26H,14-16,19H2,1-4H3,(H,34,38)(H,35,37)/t26-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037964
PNG
(CHEMBL3358273)
Show SMILES CCOc1cc(ccc1C)C(=O)N[C@H](Cc1ccc(nc1)-c1cccc(OC(F)(F)F)c1)C(=O)N[C@@H]1CCNC1 |r|
Show InChI InChI=1S/C29H31F3N4O4/c1-3-39-26-15-21(9-7-18(26)2)27(37)36-25(28(38)35-22-11-12-33-17-22)13-19-8-10-24(34-16-19)20-5-4-6-23(14-20)40-29(30,31)32/h4-10,14-16,22,25,33H,3,11-13,17H2,1-2H3,(H,35,38)(H,36,37)/t22-,25-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037895
PNG
(CHEMBL3358259)
Show SMILES CCOc1cc(OCC)cc(c1)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C
Show InChI InChI=1S/C31H36F3N3O4/c1-5-40-26-18-24(19-27(20-26)41-6-2)29(38)36-28(30(39)35-14-15-37(3)4)16-21-10-12-22(13-11-21)23-8-7-9-25(17-23)31(32,33)34/h7-13,17-20,28H,5-6,14-16H2,1-4H3,(H,35,39)(H,36,38)
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n/an/a 2.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037963
PNG
(CHEMBL3358274)
Show SMILES COCc1cc(ccc1OC)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C |r|
Show InChI InChI=1S/C30H34F3N3O4/c1-36(2)15-14-34-29(38)26(35-28(37)23-12-13-27(40-4)24(17-23)19-39-3)16-20-8-10-21(11-9-20)22-6-5-7-25(18-22)30(31,32)33/h5-13,17-18,26H,14-16,19H2,1-4H3,(H,34,38)(H,35,37)/t26-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037894
PNG
(CHEMBL3358260)
Show SMILES CCOc1cccc(c1)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C
Show InChI InChI=1S/C29H32F3N3O3/c1-4-38-25-10-6-8-23(19-25)27(36)34-26(28(37)33-15-16-35(2)3)17-20-11-13-21(14-12-20)22-7-5-9-24(18-22)29(30,31)32/h5-14,18-19,26H,4,15-17H2,1-3H3,(H,33,37)(H,34,36)
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n/an/a 3.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037960
PNG
(CHEMBL3358277)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C |r|
Show InChI InChI=1S/C29H34F3N3O2S/c1-5-7-22-18-26(38-19(22)2)28(37)34-25(27(36)33-14-15-35(3)4)16-20-10-12-21(13-11-20)23-8-6-9-24(17-23)29(30,31)32/h6,8-13,17-18,25H,5,7,14-16H2,1-4H3,(H,33,36)(H,34,37)/t25-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037955
PNG
(CHEMBL3358282)
Show SMILES C\C=C\c1cc(ccc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C27H24F3NO3/c1-3-5-20-15-22(11-8-17(20)2)25(32)31-24(26(33)34)14-18-9-12-19(13-10-18)21-6-4-7-23(16-21)27(28,29)30/h3-13,15-16,24H,14H2,1-2H3,(H,31,32)(H,33,34)/b5-3+/t24-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037888
PNG
(CHEMBL3358266)
Show SMILES CCc1cccc(c1)-c1ccc(CC(NC(=O)c2ccc(OC)c(COC)c2)C(=O)NCCN(C)C)cc1
Show InChI InChI=1S/C31H39N3O4/c1-6-22-8-7-9-25(18-22)24-12-10-23(11-13-24)19-28(31(36)32-16-17-34(2)3)33-30(35)26-14-15-29(38-5)27(20-26)21-37-4/h7-15,18,20,28H,6,16-17,19,21H2,1-5H3,(H,32,36)(H,33,35)
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n/an/a 6.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037954
PNG
(CHEMBL3358283)
Show SMILES C\C=C\c1cc(ccc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C27H24F3NO3/c1-3-5-20-15-22(11-8-17(20)2)25(32)31-24(26(33)34)14-18-9-12-19(13-10-18)21-6-4-7-23(16-21)27(28,29)30/h3-13,15-16,24H,14H2,1-2H3,(H,31,32)(H,33,34)/b5-3+/t24-/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037910
PNG
(CHEMBL3358251)
Show SMILES OC(=O)[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)NC(=O)c1ccccc1OCc1ccccc1 |r|
Show InChI InChI=1S/C30H24F3NO4/c31-30(32,33)24-10-6-9-23(18-24)22-15-13-20(14-16-22)17-26(29(36)37)34-28(35)25-11-4-5-12-27(25)38-19-21-7-2-1-3-8-21/h1-16,18,26H,17,19H2,(H,34,35)(H,36,37)/t26-/m1/s1
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n/an/a 1.45E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037958
PNG
(CHEMBL3358279)
Show SMILES CCCc1cc(sc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O |r|
Show InChI InChI=1S/C25H24F3NO3S/c1-3-5-18-14-22(33-15(18)2)23(30)29-21(24(31)32)12-16-8-10-17(11-9-16)19-6-4-7-20(13-19)25(26,27)28/h4,6-11,13-14,21H,3,5,12H2,1-2H3,(H,29,30)(H,31,32)/t21-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037952
PNG
(CHEMBL3358250)
Show SMILES CN(C)CCNC(=O)C(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)NC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C34H34F3N3O3/c1-40(2)20-19-38-33(42)30(21-24-15-17-26(18-16-24)27-11-8-12-28(22-27)34(35,36)37)39-32(41)29-13-6-7-14-31(29)43-23-25-9-4-3-5-10-25/h3-18,22,30H,19-21,23H2,1-2H3,(H,38,42)(H,39,41)
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n/an/a 1.84E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037899
PNG
(CHEMBL3358255)
Show SMILES CC(C)Oc1ccc(cc1Cl)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C
Show InChI InChI=1S/C30H33ClF3N3O3/c1-19(2)40-27-13-12-23(18-25(27)31)28(38)36-26(29(39)35-14-15-37(3)4)16-20-8-10-21(11-9-20)22-6-5-7-24(17-22)30(32,33)34/h5-13,17-19,26H,14-16H2,1-4H3,(H,35,39)(H,36,38)
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n/an/a 3.70E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037887
PNG
(CHEMBL3358267)
Show SMILES COCc1cc(ccc1OC)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(C)C)C(=O)NCCN(C)C
Show InChI InChI=1S/C32H41N3O4/c1-22(2)25-8-7-9-26(19-25)24-12-10-23(11-13-24)18-29(32(37)33-16-17-35(3)4)34-31(36)27-14-15-30(39-6)28(20-27)21-38-5/h7-15,19-20,22,29H,16-18,21H2,1-6H3,(H,33,37)(H,34,36)
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n/an/a 4.10E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037969
PNG
(CHEMBL3358268)
Show SMILES COCc1cc(ccc1OC)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(C)(C)C)C(=O)NCCN(C)C
Show InChI InChI=1S/C33H43N3O4/c1-33(2,3)28-10-8-9-25(21-28)24-13-11-23(12-14-24)19-29(32(38)34-17-18-36(4)5)35-31(37)26-15-16-30(40-7)27(20-26)22-39-6/h8-16,20-21,29H,17-19,22H2,1-7H3,(H,34,38)(H,35,37)
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n/an/a 5.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037901
PNG
(CHEMBL3358253)
Show SMILES CN(C)CCNC(=O)C(Cc1ccc(cc1)-c1cc(nn1C)C(F)(F)F)NC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C32H34F3N5O3/c1-39(2)18-17-36-31(42)26(19-22-13-15-24(16-14-22)27-20-29(32(33,34)35)38-40(27)3)37-30(41)25-11-7-8-12-28(25)43-21-23-9-5-4-6-10-23/h4-16,20,26H,17-19,21H2,1-3H3,(H,36,42)(H,37,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037900
PNG
(CHEMBL3358254)
Show SMILES CN(C)CCNC(=O)C(Cc1ccc(cc1)-c1nccn1C)NC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C31H35N5O3/c1-35(2)19-17-33-31(38)27(21-23-13-15-25(16-14-23)29-32-18-20-36(29)3)34-30(37)26-11-7-8-12-28(26)39-22-24-9-5-4-6-10-24/h4-16,18,20,27H,17,19,21-22H2,1-3H3,(H,33,38)(H,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50216502
PNG
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)
Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10|
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)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50382559
PNG
(ISPINESIB)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037968
PNG
(CHEMBL3358269)
Show SMILES COCc1cc(ccc1OC)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)C(=O)NCCN(C)C
Show InChI InChI=1S/C29H35N3O4/c1-32(2)17-16-30-29(34)26(18-21-10-12-23(13-11-21)22-8-6-5-7-9-22)31-28(33)24-14-15-27(36-4)25(19-24)20-35-3/h5-15,19,26H,16-18,20H2,1-4H3,(H,30,34)(H,31,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037909
PNG
(CHEMBL3358252)
Show SMILES CN(C)CCNC(=O)C(Cc1ccc(cc1)-c1cn2ccccc2n1)NC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C34H35N5O3/c1-38(2)21-19-35-34(41)29(22-25-15-17-27(18-16-25)30-23-39-20-9-8-14-32(39)36-30)37-33(40)28-12-6-7-13-31(28)42-24-26-10-4-3-5-11-26/h3-18,20,23,29H,19,21-22,24H2,1-2H3,(H,35,41)(H,37,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037898
PNG
(CHEMBL3358256)
Show SMILES CN(C)CC(=O)NCC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)NC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C34H34F3N3O3/c1-40(2)22-32(41)38-21-29(19-24-15-17-26(18-16-24)27-11-8-12-28(20-27)34(35,36)37)39-33(42)30-13-6-7-14-31(30)43-23-25-9-4-3-5-10-25/h3-18,20,29H,19,21-23H2,1-2H3,(H,38,41)(H,39,42)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair
Kinesin-like protein KIFC1


(Homo sapiens (Human))
BDBM50037953
PNG
(CHEMBL3358249)
Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 |r|
Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3/t24-/m1/s1
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as...


J Med Chem 57: 9958-70 (2014)


Article DOI: 10.1021/jm501179r
BindingDB Entry DOI: 10.7270/Q2QF8VG8
More data for this
Ligand-Target Pair