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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'SF3B3' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
SF3B3


(Homo sapiens (Human))
BDBM36359
PNG
((3R,6R,7S,8E,10S,11S,12E,14E,16R,18R,19R,20R,21S)-...)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(CC2)C2CCCCCC2)\C=C\[C@@H]1C
Show InChI InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1
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n/an/an/an/a 3.60n/an/a7.84



Eisai Co., Ltd.



Assay Description
Placental alkaline phosphatase (PLAP) reporter assay controlled by VEGF promoter (VEGF-PLAP)


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36357
PNG
((3R,6R,7S,8E,10S,11S,12E,14E,16S,18R,19R,20R,21S)-...)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C
Show InChI InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1
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n/an/an/an/a 1n/an/a7.84



Eisai Co., Ltd.



Assay Description
Placental alkaline phosphatase (PLAP) reporter assay controlled by VEGF promoter (VEGF-PLAP)


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36358
PNG
((3R,6R,7S,8E,10S,11S,12E,14E,16R,18R,19R,20R,21S)-...)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C
Show InChI InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+/t19-,20+,22+,23-,24+,25-,27+,28+,29-,30+/m0/s1
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n/an/an/an/a 4.30n/an/a7.84



Eisai Co., Ltd.



Assay Description
Placental alkaline phosphatase (PLAP) reporter assay controlled by VEGF promoter (VEGF-PLAP)


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36360
PNG
(CID16202133 | Pladienolide analog 8)
Show SMILES CCNC(=O)O[C@H]1\C=C\[C@H](C)[C@H](OC(=O)C[C@H](O)CC[C@@]1(C)O)C(\C)=C\C=C\[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC
Show InChI InChI=1S/C31H51NO8/c1-8-24(34)22(6)29-25(38-29)17-19(3)11-10-12-20(4)28-21(5)13-14-26(39-30(36)32-9-2)31(7,37)16-15-23(33)18-27(35)40-28/h10-14,19,21-26,28-29,33-34,37H,8-9,15-18H2,1-7H3,(H,32,36)/b11-10+,14-13+,20-12+/t19-,21+,22-,23-,24+,25-,26+,28-,29-,31-/m1/s1
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n/an/an/an/a 4.90n/an/a7.84



Eisai Co., Ltd.



Assay Description
Placental alkaline phosphatase (PLAP) reporter assay controlled by VEGF promoter (VEGF-PLAP)


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36361
PNG
(CID16202134 | Pladienolide analog 9)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCOCCOCCNC(=O)CCCCC2=[N+]3C(C=C2)=Cc2c(C)cc(C)n2[B-]3(F)F)\C=C\[C@@H]1C
Show InChI InChI=1S/C51H77BF2N4O11/c1-9-43(60)38(7)49-44(67-49)29-33(2)13-12-14-34(3)48-35(4)17-20-45(51(8,64)22-21-41(59)32-47(62)69-48)68-50(63)56-24-26-66-28-27-65-25-23-55-46(61)16-11-10-15-39-18-19-40-31-42-36(5)30-37(6)57(42)52(53,54)58(39)40/h12-14,17-20,30-31,33,35,38,41,43-45,48-49,59-60,64H,9-11,15-16,21-29,32H2,1-8H3,(H,55,61)(H,56,63)/b13-12+,20-17+,34-14+/t33-,35+,38-,41-,43+,44-,45+,48-,49-,51-/m1/s1
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n/an/an/an/a 78.4n/an/a7.84



Eisai Co., Ltd.



Assay Description
Placental alkaline phosphatase (PLAP) reporter assay controlled by VEGF promoter (VEGF-PLAP)


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36362
PNG
(CID1620213 | Pladienolide analog 10)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCCC[C@H](NC(=O)c2ccc(cc2)C2(N=N2)C(F)(F)F)C(=O)N(C)CCN(C)C(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]23)\C=C\[C@@H]1C
Show InChI InChI=1S/C58H85F3N8O12S/c1-9-43(71)37(5)51-44(79-51)31-34(2)15-14-16-35(3)50-36(4)20-25-46(56(6,78)27-26-40(70)32-48(73)81-50)80-55(77)62-28-13-12-17-41(63-52(74)38-21-23-39(24-22-38)57(66-67-57)58(59,60)61)53(75)69(8)30-29-68(7)47(72)19-11-10-18-45-49-42(33-82-45)64-54(76)65-49/h14-16,20-25,34,36-37,40-46,49-51,70-71,78H,9-13,17-19,26-33H2,1-8H3,(H,62,77)(H,63,74)(H2,64,65,76)/b15-14+,25-20+,35-16+/t34-,36+,37-,40-,41+,42-,43+,44-,45-,46+,49-,50-,51-,56-/m1/s1
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n/an/an/an/a 595n/an/a7.84



Eisai Co., Ltd.



Assay Description
Cell proliferation assay using WiDr


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36357
PNG
((3R,6R,7S,8E,10S,11S,12E,14E,16S,18R,19R,20R,21S)-...)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C
Show InChI InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1
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n/an/an/an/a 0.860n/an/a7.84



Eisai Co., Ltd.



Assay Description
Cell proliferation assay using WiDr


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36358
PNG
((3R,6R,7S,8E,10S,11S,12E,14E,16R,18R,19R,20R,21S)-...)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C
Show InChI InChI=1S/C30H48O9/c1-8-23(33)20(4)28-24(38-28)17-29(6,35)14-9-10-18(2)27-19(3)11-12-25(37-21(5)31)30(7,36)15-13-22(32)16-26(34)39-27/h9-12,14,19-20,22-25,27-28,32-33,35-36H,8,13,15-17H2,1-7H3/b12-11+,14-9+,18-10+/t19-,20+,22+,23-,24+,25-,27+,28+,29-,30+/m0/s1
PDB

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n/an/an/an/a 6n/an/a7.84



Eisai Co., Ltd.



Assay Description
Cell proliferation assay using WiDr


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36359
PNG
((3R,6R,7S,8E,10S,11S,12E,14E,16R,18R,19R,20R,21S)-...)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(CC2)C2CCCCCC2)\C=C\[C@@H]1C
Show InChI InChI=1S/C40H66N2O9/c1-7-32(44)29(4)37-33(49-37)26-39(5,47)19-12-13-27(2)36-28(3)16-17-34(40(6,48)20-18-31(43)25-35(45)51-36)50-38(46)42-23-21-41(22-24-42)30-14-10-8-9-11-15-30/h12-13,16-17,19,28-34,36-37,43-44,47-48H,7-11,14-15,18,20-26H2,1-6H3/b17-16+,19-12+,27-13+/t28-,29+,31+,32-,33+,34-,36+,37+,39-,40+/m0/s1
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n/an/an/an/a 3.20n/an/a7.84



Eisai Co., Ltd.



Assay Description
Cell proliferation assay using WiDr


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36360
PNG
(CID16202133 | Pladienolide analog 8)
Show SMILES CCNC(=O)O[C@H]1\C=C\[C@H](C)[C@H](OC(=O)C[C@H](O)CC[C@@]1(C)O)C(\C)=C\C=C\[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC
Show InChI InChI=1S/C31H51NO8/c1-8-24(34)22(6)29-25(38-29)17-19(3)11-10-12-20(4)28-21(5)13-14-26(39-30(36)32-9-2)31(7,37)16-15-23(33)18-27(35)40-28/h10-14,19,21-26,28-29,33-34,37H,8-9,15-18H2,1-7H3,(H,32,36)/b11-10+,14-13+,20-12+/t19-,21+,22-,23-,24+,25-,26+,28-,29-,31-/m1/s1
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n/an/an/an/a 6.10n/an/a7.84



Eisai Co., Ltd.



Assay Description
Cell proliferation assay using WiDr


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36361
PNG
(CID16202134 | Pladienolide analog 9)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCOCCOCCNC(=O)CCCCC2=[N+]3C(C=C2)=Cc2c(C)cc(C)n2[B-]3(F)F)\C=C\[C@@H]1C
Show InChI InChI=1S/C51H77BF2N4O11/c1-9-43(60)38(7)49-44(67-49)29-33(2)13-12-14-34(3)48-35(4)17-20-45(51(8,64)22-21-41(59)32-47(62)69-48)68-50(63)56-24-26-66-28-27-65-25-23-55-46(61)16-11-10-15-39-18-19-40-31-42-36(5)30-37(6)57(42)52(53,54)58(39)40/h12-14,17-20,30-31,33,35,38,41,43-45,48-49,59-60,64H,9-11,15-16,21-29,32H2,1-8H3,(H,55,61)(H,56,63)/b13-12+,20-17+,34-14+/t33-,35+,38-,41-,43+,44-,45+,48-,49-,51-/m1/s1
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n/an/an/an/a 70.2n/an/a7.84



Eisai Co., Ltd.



Assay Description
Cell proliferation assay using WiDr


Citation and Details
More data for this
Ligand-Target Pair
SF3B3


(Homo sapiens (Human))
BDBM36361
PNG
(CID16202134 | Pladienolide analog 9)
Show SMILES CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCOCCOCCNC(=O)CCCCC2=[N+]3C(C=C2)=Cc2c(C)cc(C)n2[B-]3(F)F)\C=C\[C@@H]1C
Show InChI InChI=1S/C51H77BF2N4O11/c1-9-43(60)38(7)49-44(67-49)29-33(2)13-12-14-34(3)48-35(4)17-20-45(51(8,64)22-21-41(59)32-47(62)69-48)68-50(63)56-24-26-66-28-27-65-25-23-55-46(61)16-11-10-15-39-18-19-40-31-42-36(5)30-37(6)57(42)52(53,54)58(39)40/h12-14,17-20,30-31,33,35,38,41,43-45,48-49,59-60,64H,9-11,15-16,21-29,32H2,1-8H3,(H,55,61)(H,56,63)/b13-12+,20-17+,34-14+/t33-,35+,38-,41-,43+,44-,45+,48-,49-,51-/m1/s1
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n/an/an/an/a 645n/an/a7.84



Eisai Co., Ltd.



Assay Description
Placental alkaline phosphatase (PLAP) reporter assay controlled by VEGF promoter (VEGF-PLAP)


Citation and Details
More data for this
Ligand-Target Pair