Found 5 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A/Targeting protein for Xklp2 [1-43]' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Aurora kinase A/Targeting protein for Xklp2 [1-43]
(Homo sapiens (Human)) | BDBM50277545
(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33) | PDB
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| Article
PubMed
| 1.86 | -50.7 | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | 30 |
University of Tartu, Ravila 14A, 50411 Tartu (Estonia)
| Assay Description
Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMR... |
Chembiochem 15: 443-50 (2014)
Article DOI: 10.1002/cbic.201300613
BindingDB Entry DOI: 10.7270/Q2028Q58 |
More data for this
Ligand-Target Pair | |
Aurora kinase A/Targeting protein for Xklp2 [1-43]
(Homo sapiens (Human)) | BDBM109209
(VX-689)Show SMILES OC(=O)[C@]1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:3.3,(2.79,-10.07,;2.79,-8.53,;4.12,-7.76,;1.46,-7.76,;1.46,-9.3,;.12,-10.07,;.12,-11.61,;-1.21,-12.38,;-2.54,-11.61,;-2.54,-10.07,;-3.88,-9.3,;-3.88,-7.76,;-5.12,-6.85,;-4.65,-5.39,;-3.11,-5.39,;-2.63,-6.85,;-1.21,-9.3,;2.79,-6.99,;2.79,-5.45,;1.46,-4.68,;.12,-5.45,;.12,-6.99,;1.46,-3.14,;.12,-2.37,;-1.21,-3.14,;-2.54,-2.37,;-2.54,-.83,;-1.21,-.05,;-1.21,1.49,;.12,-.83,;1.46,-.06,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15?,22- | PDB
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| Article
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| 2.17 | -50.3 | 2.07E+3 | n/a | n/a | n/a | n/a | n/a | 30 |
University of Tartu, Ravila 14A, 50411 Tartu (Estonia)
| Assay Description
Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMR... |
Chembiochem 15: 443-50 (2014)
Article DOI: 10.1002/cbic.201300613
BindingDB Entry DOI: 10.7270/Q2028Q58 |
More data for this
Ligand-Target Pair | |
Aurora kinase A/Targeting protein for Xklp2 [1-43]
(Homo sapiens (Human)) | BDBM109207
(Compound II: Ac-D-Arg6-D-Lys(PromoFluor 647)-D-Lys...)Show SMILES [#6]-[#6]-[#7]-1\[#6](=[#6]\[#6]=[#6]\[#6]=[#6]\[#6]2=[#7+](-[#6]-[#6])-c3ccc(cc3C2([#6])[#6])S([#8-])(=O)=O)C([#6])([#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7+]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7+])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c2ccc(-[#7]-c3ncc4-[#6]-[#7]=[#6](-c5cc(Cl)ccc5-c4n3)-c3c(F)cccc3-[#8]-[#6])cc2-[#8]-[#6])-[#6](-[#7])=O)c2cc(ccc-12)S([#8-])(=O)=O |c:9,132| Show InChI InChI=1S/C109H155ClFN35O19S2/c1-9-145-82-45-41-66(166(158,159)160)58-71(82)108(4,5)86(145)36-12-11-13-37-87-109(6,72-59-67(167(161,162)163)42-46-83(72)146(87)10-2)47-19-38-88(148)125-48-16-15-28-76(95(152)137-74(92(112)149)27-14-17-49-126-93(150)69-44-40-65(57-85(69)165-8)136-107-134-61-63-60-133-91(89-73(111)26-18-35-84(89)164-7)70-56-64(110)39-43-68(70)90(63)144-107)138-96(153)78(31-22-52-129-103(117)118)140-98(155)80(33-24-54-131-105(121)122)142-100(157)81(34-25-55-132-106(123)124)143-99(156)79(32-23-53-130-104(119)120)141-97(154)77(30-21-51-128-102(115)116)139-94(151)75(135-62(3)147)29-20-50-127-101(113)114/h11-13,18,26,35-37,39-46,56-59,61,74-81H,9-10,14-17,19-25,27-34,38,47-55,60H2,1-8H3,(H38-,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,134,135,136,137,138,139,140,141,142,143,144,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163)/p+5 | PDB
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.34 | n/a | n/a | n/a | n/a | 30 |
University of Tartu, Ravila 14A, 50411 Tartu (Estonia)
| Assay Description
A stock solution was prepared containing complex of Aurora A and Compound I (final total concentrations of 6nM and 5nM, respectively). Separately, se... |
Chembiochem 15: 443-50 (2014)
Article DOI: 10.1002/cbic.201300613
BindingDB Entry DOI: 10.7270/Q2028Q58 |
More data for this
Ligand-Target Pair | |
Aurora kinase A/Targeting protein for Xklp2 [1-43]
(Homo sapiens (Human)) | BDBM109206
(2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-[(4- ...)Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)c2ccc(Nc3ncc4CN=C(c5cc(Cl)ccc5-c4n3)c3c(F)cccc3OC)cc2OC)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,c:9,54| Show InChI InChI=1S/C65H69ClFN9O11S2/c1-8-75-51-29-25-42(88(80,81)82)35-47(51)64(3,4)55(75)20-11-10-12-21-56-65(5,48-36-43(89(83,84)85)26-30-52(48)76(56)9-2)31-16-22-57(77)69-32-14-13-18-50(61(68)78)73-62(79)45-28-24-41(34-54(45)87-7)72-63-71-38-39-37-70-60(58-49(67)17-15-19-53(58)86-6)46-33-40(66)23-27-44(46)59(39)74-63/h10-12,15,17,19-21,23-30,33-36,38,50H,8-9,13-14,16,18,22,31-32,37H2,1-7H3,(H6-,68,69,71,72,73,74,77,78,79,80,81,82,83,84,85)/t50-,65?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.527 | n/a | n/a | n/a | n/a | 30 |
University of Tartu, Ravila 14A, 50411 Tartu (Estonia)
| Assay Description
A stock solution was prepared containing complex of Aurora A and Compound I (final total concentrations of 6nM and 5nM, respectively). Separately, se... |
Chembiochem 15: 443-50 (2014)
Article DOI: 10.1002/cbic.201300613
BindingDB Entry DOI: 10.7270/Q2028Q58 |
More data for this
Ligand-Target Pair | |
Aurora kinase A/Targeting protein for Xklp2 [1-43]
(Homo sapiens (Human)) | BDBM109208
(2-[(1E,3E)-5-[(2E)-3-(3-{[(5R)-5-carbamoyl-5-{[4- ...)Show SMILES CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(CCCC(=O)NCCCC[C@@H](NC(=O)[C@]2(Cc3cccc(Nc4nccs4)n3)CCC(CC2)Oc2cccc(Cl)c2F)C(N)=O)c2cc(ccc12)S(O)(=O)=O |r,wU:42.43,38.40,wD:42.44,c:9,(-16.27,-52.94,;-14.86,-52.31,;-14.7,-50.78,;-15.85,-49.75,;-17.35,-50.07,;-18.44,-48.98,;-19.93,-49.38,;-21.02,-48.29,;-22.51,-48.69,;-23.6,-47.6,;-25.12,-47.84,;-25.82,-49.22,;-27.36,-49.22,;-25.82,-46.47,;-27.3,-46.07,;-27.7,-44.59,;-26.61,-43.5,;-25.13,-43.89,;-24.73,-45.38,;-23.36,-46.08,;-22.27,-44.99,;-21.87,-46.48,;-27.01,-42.01,;-27.41,-40.52,;-25.52,-41.61,;-28.5,-42.41,;-15.22,-48.34,;-15.22,-46.8,;-16.56,-47.57,;-16.56,-46.03,;-17.89,-45.26,;-17.89,-43.72,;-16.56,-42.95,;-19.22,-42.95,;-19.22,-41.41,;-20.56,-40.64,;-20.56,-39.1,;-21.89,-38.33,;-21.89,-36.79,;-23.22,-36.02,;-23.22,-34.48,;-21.89,-33.71,;-24.56,-33.71,;-24.56,-35.25,;-25.89,-36.02,;-25.89,-37.56,;-27.23,-38.34,;-28.56,-37.57,;-28.56,-36.03,;-29.89,-35.26,;-29.89,-33.72,;-31.14,-32.81,;-30.66,-31.35,;-29.12,-31.35,;-28.65,-32.81,;-27.22,-35.26,;-23.22,-32.94,;-23.22,-31.4,;-24.56,-30.63,;-25.89,-31.4,;-25.89,-32.94,;-24.56,-29.09,;-25.89,-28.32,;-27.22,-29.09,;-28.56,-28.32,;-28.56,-26.78,;-27.22,-26.01,;-27.22,-24.47,;-25.89,-26.78,;-24.56,-26.01,;-20.56,-36.02,;-19.22,-36.79,;-20.56,-34.48,;-13.69,-48.51,;-12.55,-47.48,;-11.08,-47.95,;-10.76,-49.46,;-11.91,-50.49,;-13.37,-50.01,;-9.94,-46.92,;-8.85,-45.83,;-11.03,-45.83,;-8.85,-48.01,)| Show InChI InChI=1S/C60H70ClFN8O10S3/c1-6-69-47-26-24-41(82(74,75)76)36-43(47)58(3,4)50(69)20-9-8-10-21-51-59(5,44-37-42(83(77,78)79)25-27-48(44)70(51)7-2)30-15-23-53(71)64-33-12-11-18-46(55(63)72)67-56(73)60(38-39-16-13-22-52(66-39)68-57-65-34-35-81-57)31-28-40(29-32-60)80-49-19-14-17-45(61)54(49)62/h8-10,13-14,16-17,19-22,24-27,34-37,40,46H,6-7,11-12,15,18,23,28-33,38H2,1-5H3,(H6-,63,64,65,66,67,68,71,72,73,74,75,76,77,78,79)/t40?,46-,59?,60-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.544 | n/a | n/a | n/a | n/a | 30 |
University of Tartu, Ravila 14A, 50411 Tartu (Estonia)
| Assay Description
A stock solution was prepared containing complex of Aurora A and Compound I (final total concentrations of 6nM and 5nM, respectively). Separately, se... |
Chembiochem 15: 443-50 (2014)
Article DOI: 10.1002/cbic.201300613
BindingDB Entry DOI: 10.7270/Q2028Q58 |
More data for this
Ligand-Target Pair | |
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