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PubMed code 23498919

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50433414
PNG
(CHEMBL2380650)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C71H102N16O22/c1-9-36(4)56(67(105)77-46(59(72)97)28-42-19-21-44(92)22-20-42)83-60(98)37(5)75-68(106)57(38(6)89)85-65(103)51(33-88)82-64(102)49(30-43-32-73-34-74-43)78-62(100)47(27-35(2)3)79-66(104)52-17-13-25-86(52)71(109)53-18-14-26-87(53)70(108)50(31-55(95)96)81-63(101)48(29-41-15-11-10-12-16-41)80-69(107)58(39(7)90)84-61(99)45(76-40(8)91)23-24-54(93)94/h10-12,15-16,19-22,32,34-39,45-53,56-58,88-90,92H,9,13-14,17-18,23-31,33H2,1-8H3,(H2,72,97)(H,73,74)(H,75,106)(H,76,91)(H,77,105)(H,78,100)(H,79,104)(H,80,107)(H,81,101)(H,82,102)(H,83,98)(H,84,99)(H,85,103)(H,93,94)(H,95,96)/t36-,37-,38+,39+,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Korea Basic Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...


Bioorg Med Chem 21: 2623-34 (2013)


Article DOI: 10.1016/j.bmc.2013.02.020
BindingDB Entry DOI: 10.7270/Q2J38TZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50433415
PNG
(CHEMBL2380764)
Show SMILES CC(C)C[C@@H]1NC(=O)CN(CCCCCC(=O)NCCc2cn(C(C)=O)c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cncn2CCCCCCCCc2ccccc2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O
Show InChI InChI=1S/C58H84N11O14PS/c1-38(2)29-45-55(76)63-46(30-43-31-60-37-68(43)28-17-8-6-5-7-11-19-41-20-12-9-13-21-41)56(77)64-47(34-70)57(78)66-53(39(3)83-84(80,81)82)58(79)65-48(54(59)75)35-85-36-52(74)67(33-51(73)62-45)27-18-10-14-24-50(72)61-26-25-42-32-69(40(4)71)49-23-16-15-22-44(42)49/h9,12-13,15-16,20-23,31-32,37-39,45-48,53,70H,5-8,10-11,14,17-19,24-30,33-36H2,1-4H3,(H2,59,75)(H,61,72)(H,62,73)(H,63,76)(H,64,77)(H,65,79)(H,66,78)(H2,80,81,82)/t39-,45+,46+,47+,48-,53+/m1/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Korea Basic Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...


Bioorg Med Chem 21: 2623-34 (2013)


Article DOI: 10.1016/j.bmc.2013.02.020
BindingDB Entry DOI: 10.7270/Q2J38TZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50433416
PNG
(CHEMBL2380660)
Show SMILES CC(C)C[C@@H]1NC(=O)CN(CCCCCC(=O)NCCc2cn(C(C)=O)c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O
Show InChI InChI=1S/C44H64N11O14PS/c1-25(2)16-31-41(62)50-32(17-29-18-46-24-48-29)42(63)51-33(21-56)43(64)53-39(26(3)69-70(66,67)68)44(65)52-34(40(45)61)22-71-23-38(60)54(20-37(59)49-31)15-9-5-6-12-36(58)47-14-13-28-19-55(27(4)57)35-11-8-7-10-30(28)35/h7-8,10-11,18-19,24-26,31-34,39,56H,5-6,9,12-17,20-23H2,1-4H3,(H2,45,61)(H,46,48)(H,47,58)(H,49,59)(H,50,62)(H,51,63)(H,52,65)(H,53,64)(H2,66,67,68)/t26-,31+,32+,33+,34-,39+/m1/s1
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n/an/a 2.56E+3n/an/an/an/an/an/a



Korea Basic Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...


Bioorg Med Chem 21: 2623-34 (2013)


Article DOI: 10.1016/j.bmc.2013.02.020
BindingDB Entry DOI: 10.7270/Q2J38TZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50433413
PNG
(CHEMBL2380651)
Show SMILES CC(C)C[C@@H]1NC(=O)CN(CCC(=O)NCCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O
Show InChI InChI=1S/C39H56N11O13PS/c1-21(2)12-27-36(56)46-28(13-24-15-41-20-44-24)37(57)47-29(17-51)38(58)49-34(22(3)63-64(60,61)62)39(59)48-30(35(40)55)18-65-19-33(54)50(16-32(53)45-27)11-9-31(52)42-10-8-23-14-43-26-7-5-4-6-25(23)26/h4-7,14-15,20-22,27-30,34,43,51H,8-13,16-19H2,1-3H3,(H2,40,55)(H,41,44)(H,42,52)(H,45,53)(H,46,56)(H,47,57)(H,48,59)(H,49,58)(H2,60,61,62)/t22-,27+,28+,29+,30-,34+/m1/s1
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n/an/a 4.75E+3n/an/an/an/an/an/a



Korea Basic Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...


Bioorg Med Chem 21: 2623-34 (2013)


Article DOI: 10.1016/j.bmc.2013.02.020
BindingDB Entry DOI: 10.7270/Q2J38TZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50433417
PNG
(CHEMBL2380653)
Show SMILES CC(C)C[C@@H]1NC(=O)CN(CCc2c[nH]c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O
Show InChI InChI=1S/C36H51N10O12PS/c1-19(2)10-25-33(51)42-26(11-22-13-38-18-40-22)34(52)43-27(15-47)35(53)45-31(20(3)58-59(55,56)57)36(54)44-28(32(37)50)16-60-17-30(49)46(14-29(48)41-25)9-8-21-12-39-24-7-5-4-6-23(21)24/h4-7,12-13,18-20,25-28,31,39,47H,8-11,14-17H2,1-3H3,(H2,37,50)(H,38,40)(H,41,48)(H,42,51)(H,43,52)(H,44,54)(H,45,53)(H2,55,56,57)/t20-,25+,26+,27+,28-,31+/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Korea Basic Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...


Bioorg Med Chem 21: 2623-34 (2013)


Article DOI: 10.1016/j.bmc.2013.02.020
BindingDB Entry DOI: 10.7270/Q2J38TZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50433418
PNG
(CHEMBL2380765)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)OP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C29H45N8O13PS/c1-14(2)7-17-24(40)32-18(8-16-9-30-13-31-16)25(41)34-19(10-38)26(42)36-23(15(3)50-51(47,48)49)28(44)35-20(29(45)46)11-52-12-22(39)37-6-4-5-21(37)27(43)33-17/h9,13-15,17-21,23,38H,4-8,10-12H2,1-3H3,(H,30,31)(H,32,40)(H,33,43)(H,34,41)(H,35,44)(H,36,42)(H,45,46)(H2,47,48,49)/t15-,17+,18+,19+,20+,21+,23+/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Korea Basic Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...


Bioorg Med Chem 21: 2623-34 (2013)


Article DOI: 10.1016/j.bmc.2013.02.020
BindingDB Entry DOI: 10.7270/Q2J38TZ4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50426931
PNG
(CHEMBL2323729)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C26H42N7O12P/c1-13(2)8-17(30-25(39)20-6-5-7-33(20)15(4)35)22(36)29-18(9-16-10-27-12-28-16)23(37)31-19(11-34)24(38)32-21(26(40)41)14(3)45-46(42,43)44/h10,12-14,17-21,34H,5-9,11H2,1-4H3,(H,27,28)(H,29,36)(H,30,39)(H,31,37)(H,32,38)(H,40,41)(H2,42,43,44)/t14-,17+,18+,19+,20+,21+/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Korea Basic Science Institute

Curated by ChEMBL


Assay Description
Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...


Bioorg Med Chem 21: 2623-34 (2013)


Article DOI: 10.1016/j.bmc.2013.02.020
BindingDB Entry DOI: 10.7270/Q2J38TZ4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%