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PubMed code 12657254

Compile data set for download or QSAR
Found 10 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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366880
PNG
(CHEMBL1793842)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#CCNC(=O)c1ccc(cc1)C#CCNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C67H85N11O23P2/c1-37(2)32-51(59(68)85)75-67(93)58(40(6)80)78-63(89)50(28-29-56(83)84)74-64(90)54(35-45-18-26-49(27-19-45)101-103(97,98)99)76-61(87)47-22-14-43(15-23-47)10-8-30-69-60(86)46-20-12-42(13-21-46)11-9-31-70-62(88)52(33-38(3)4)73-55(82)36-71-66(92)57(39(5)79)77-65(91)53(72-41(7)81)34-44-16-24-48(25-17-44)100-102(94,95)96/h12-27,37-40,50-54,57-58,79-80H,28-36H2,1-7H3,(H2,68,85)(H,69,86)(H,70,88)(H,71,92)(H,72,81)(H,73,82)(H,74,90)(H,75,93)(H,76,87)(H,77,91)(H,78,89)(H,83,84)(H2,94,95,96)(H2,97,98,99)/t39-,40-,50+,51+,52+,53+,54+,57+,58+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366877
PNG
(CHEMBL2369726)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#7])=O
Show InChI InChI=1S/C78H123N21O35P2/c1-34(2)27-49(64(81)113)92-76(125)62(38(7)103)97-68(117)48(22-25-59(111)112)89-70(119)52(30-42-14-18-44(19-15-42)134-136(130,131)132)94-77(126)63(39(8)104)98-67(116)47(21-24-58(109)110)88-66(115)46(20-23-55(79)106)90-73(122)54(33-100)95-65(114)45(11-10-26-84-78(82)83)91-75(124)61(37(6)102)99-72(121)53(31-56(80)107)93-69(118)50(28-35(3)4)87-57(108)32-85-74(123)60(36(5)101)96-71(120)51(86-40(9)105)29-41-12-16-43(17-13-41)133-135(127,128)129/h12-19,34-39,45-54,60-63,100-104H,10-11,20-33H2,1-9H3,(H2,79,106)(H2,80,107)(H2,81,113)(H,85,123)(H,86,105)(H,87,108)(H,88,115)(H,89,119)(H,90,122)(H,91,124)(H,92,125)(H,93,118)(H,94,126)(H,95,114)(H,96,120)(H,97,117)(H,98,116)(H,99,121)(H,109,110)(H,111,112)(H4,82,83,84)(H2,127,128,129)(H2,130,131,132)/t36-,37-,38-,39-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,60+,61+,62+,63+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366879
PNG
(CHEMBL1793844)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)COCCOCCOCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C61H98N10O28P2/c1-36(2)30-46(55(62)79)69-61(85)54(39(6)73)71-57(81)45(16-17-52(77)78)68-58(82)49(33-42-10-14-44(15-11-42)99-101(89,90)91)67-51(76)35-97-29-28-96-27-26-95-25-24-94-23-22-93-21-20-92-19-18-63-56(80)47(31-37(3)4)66-50(75)34-64-60(84)53(38(5)72)70-59(83)48(65-40(7)74)32-41-8-12-43(13-9-41)98-100(86,87)88/h8-15,36-39,45-49,53-54,72-73H,16-35H2,1-7H3,(H2,62,79)(H,63,80)(H,64,84)(H,65,74)(H,66,75)(H,67,76)(H,68,82)(H,69,85)(H,70,83)(H,71,81)(H,77,78)(H2,86,87,88)(H2,89,90,91)/t38-,39-,45+,46+,47+,48+,49+,53+,54+/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366881
PNG
(CHEMBL1793843)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CNC(=O)c1ccc(cc1)C#CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C61H84N12O24P2/c1-32(2)25-44(54(62)82)71-61(89)53(35(6)75)73-57(85)43(22-23-51(80)81)70-58(86)47(28-39-14-20-42(21-15-39)97-99(93,94)95)69-49(78)30-64-55(83)40-16-10-37(11-17-40)9-8-24-63-48(77)29-65-56(84)45(26-33(3)4)68-50(79)31-66-60(88)52(34(5)74)72-59(87)46(67-36(7)76)27-38-12-18-41(19-13-38)96-98(90,91)92/h10-21,32-35,43-47,52-53,74-75H,22-31H2,1-7H3,(H2,62,82)(H,63,77)(H,64,83)(H,65,84)(H,66,88)(H,67,76)(H,68,79)(H,69,78)(H,70,86)(H,71,89)(H,72,87)(H,73,85)(H,80,81)(H2,90,91,92)(H2,93,94,95)/t34-,35-,43+,44+,45+,46+,47+,52+,53+/m1/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366878
PNG
(CHEMBL1793841)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C26H40N5O12P/c1-13(2)11-19(23(27)36)30-26(39)22(14(3)32)31-24(37)18(9-10-21(34)35)29-25(38)20(28-15(4)33)12-16-5-7-17(8-6-16)43-44(40,41)42/h5-8,13-14,18-20,22,32H,9-12H2,1-4H3,(H2,27,36)(H,28,33)(H,29,38)(H,30,39)(H,31,37)(H,34,35)(H2,40,41,42)/t14-,18+,19+,20+,22+/m1/s1
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n/an/a 5.70E+5n/an/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366879
PNG
(CHEMBL1793844)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)COCCOCCOCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C61H98N10O28P2/c1-36(2)30-46(55(62)79)69-61(85)54(39(6)73)71-57(81)45(16-17-52(77)78)68-58(82)49(33-42-10-14-44(15-11-42)99-101(89,90)91)67-51(76)35-97-29-28-96-27-26-95-25-24-94-23-22-93-21-20-92-19-18-63-56(80)47(31-37(3)4)66-50(75)34-64-60(84)53(38(5)72)70-59(83)48(65-40(7)74)32-41-8-12-43(13-9-41)98-100(86,87)88/h8-15,36-39,45-49,53-54,72-73H,16-35H2,1-7H3,(H2,62,79)(H,63,80)(H,64,84)(H,65,74)(H,66,75)(H,67,76)(H,68,82)(H,69,85)(H,70,83)(H,71,81)(H,77,78)(H2,86,87,88)(H2,89,90,91)/t38-,39-,45+,46+,47+,48+,49+,53+,54+/m1/s1
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n/an/an/a 340n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity for Syk tandem SH2 domain in surface plasmon resonance assay (SPR)


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366878
PNG
(CHEMBL1793841)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C26H40N5O12P/c1-13(2)11-19(23(27)36)30-26(39)22(14(3)32)31-24(37)18(9-10-21(34)35)29-25(38)20(28-15(4)33)12-16-5-7-17(8-6-16)43-44(40,41)42/h5-8,13-14,18-20,22,32H,9-12H2,1-4H3,(H2,27,36)(H,28,33)(H,29,38)(H,30,39)(H,31,37)(H,34,35)(H2,40,41,42)/t14-,18+,19+,20+,22+/m1/s1
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n/an/an/a 1.66E+5n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Dissociation binding constant for Syk tandem SH2 domain


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366881
PNG
(CHEMBL1793843)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CNC(=O)c1ccc(cc1)C#CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C61H84N12O24P2/c1-32(2)25-44(54(62)82)71-61(89)53(35(6)75)73-57(85)43(22-23-51(80)81)70-58(86)47(28-39-14-20-42(21-15-39)97-99(93,94)95)69-49(78)30-64-55(83)40-16-10-37(11-17-40)9-8-24-63-48(77)29-65-56(84)45(26-33(3)4)68-50(79)31-66-60(88)52(34(5)74)72-59(87)46(67-36(7)76)27-38-12-18-41(19-13-38)96-98(90,91)92/h10-21,32-35,43-47,52-53,74-75H,22-31H2,1-7H3,(H2,62,82)(H,63,77)(H,64,83)(H,65,84)(H,66,88)(H,67,76)(H,68,79)(H,69,78)(H,70,86)(H,71,89)(H,72,87)(H,73,85)(H,80,81)(H2,90,91,92)(H2,93,94,95)/t34-,35-,43+,44+,45+,46+,47+,52+,53+/m1/s1
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n/an/an/a 4.00E+3n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Dissociation binding constant for Syk tandem SH2 domain


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366880
PNG
(CHEMBL1793842)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#CCNC(=O)c1ccc(cc1)C#CCNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C67H85N11O23P2/c1-37(2)32-51(59(68)85)75-67(93)58(40(6)80)78-63(89)50(28-29-56(83)84)74-64(90)54(35-45-18-26-49(27-19-45)101-103(97,98)99)76-61(87)47-22-14-43(15-23-47)10-8-30-69-60(86)46-20-12-42(13-21-46)11-9-31-70-62(88)52(33-38(3)4)73-55(82)36-71-66(92)57(39(5)79)77-65(91)53(72-41(7)81)34-44-16-24-48(25-17-44)100-102(94,95)96/h12-27,37-40,50-54,57-58,79-80H,28-36H2,1-7H3,(H2,68,85)(H,69,86)(H,70,88)(H,71,92)(H,72,81)(H,73,82)(H,74,90)(H,75,93)(H,76,87)(H,77,91)(H,78,89)(H,83,84)(H2,94,95,96)(H2,97,98,99)/t39-,40-,50+,51+,52+,53+,54+,57+,58+/m1/s1
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n/an/an/a 29n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Dissociation binding constant for Syk tandem SH2 domain


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50366877
PNG
(CHEMBL2369726)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#7])=O
Show InChI InChI=1S/C78H123N21O35P2/c1-34(2)27-49(64(81)113)92-76(125)62(38(7)103)97-68(117)48(22-25-59(111)112)89-70(119)52(30-42-14-18-44(19-15-42)134-136(130,131)132)94-77(126)63(39(8)104)98-67(116)47(21-24-58(109)110)88-66(115)46(20-23-55(79)106)90-73(122)54(33-100)95-65(114)45(11-10-26-84-78(82)83)91-75(124)61(37(6)102)99-72(121)53(31-56(80)107)93-69(118)50(28-35(3)4)87-57(108)32-85-74(123)60(36(5)101)96-71(120)51(86-40(9)105)29-41-12-16-43(17-13-41)133-135(127,128)129/h12-19,34-39,45-54,60-63,100-104H,10-11,20-33H2,1-9H3,(H2,79,106)(H2,80,107)(H2,81,113)(H,85,123)(H,86,105)(H,87,108)(H,88,115)(H,89,119)(H,90,122)(H,91,124)(H,92,125)(H,93,118)(H,94,126)(H,95,114)(H,96,120)(H,97,117)(H,98,116)(H,99,121)(H,109,110)(H,111,112)(H4,82,83,84)(H2,127,128,129)(H2,130,131,132)/t36-,37-,38-,39-,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,60+,61+,62+,63+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 37n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Dissociation binding constant for Syk tandem SH2 domain


Bioorg Med Chem Lett 13: 1241-4 (2003)


BindingDB Entry DOI: 10.7270/Q2XD127G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%