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Compile Data Set for Download or QSAR

Found 44 hits of ki data for polymerid = 50001323,50005687,50005698   
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
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494940
PNG
(CHEMBL3098189)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccncc1
Show InChI InChI=1S/C28H32N6O13P2/c1-13-16-9-44-28(38)18(16)20(35)15(23(13)43-2)5-8-45-48(39,40)12-49(41,42)46-10-17-21(36)22(37)27(47-17)34-11-31-19-24(29)32-25(33-26(19)34)14-3-6-30-7-4-14/h3-4,6-7,11,17,21-22,27,35-37H,5,8-10,12H2,1-2H3,(H,39,40)(H,41,42)(H2,29,32,33)/t17-,21-,22-,27-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494929
PNG
(CHEMBL3098184)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](C(C)C)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C32H41N7O9/c1-14(2)22(30(44)34-10-19-25(42)26(43)31(48-19)39-13-37-23-28(33)35-12-36-29(23)39)38-20(40)9-7-15(3)6-8-17-24(41)21-18(11-47-32(21)45)16(4)27(17)46-5/h6,12-14,19,22,25-26,31,41-43H,7-11H2,1-5H3,(H,34,44)(H,38,40)(H2,33,35,36)/b15-6+/t19-,22-,25-,26-,31-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494941
PNG
(CHEMBL3098187)
Show SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C25H31F2N5O13P2/c1-4-14-30-21(28)16-22(31-14)32(9-29-16)23-19(35)18(34)13(45-23)8-44-47(39,40)25(26,27)46(37,38)43-6-5-11-17(33)15-12(7-42-24(15)36)10(2)20(11)41-3/h9,13,18-19,23,33-35H,4-8H2,1-3H3,(H,37,38)(H,39,40)(H2,28,30,31)/t13-,18-,19-,23-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494943
PNG
(CHEMBL3098188)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O13P2/c1-9-11-5-42-22(36)13(11)15(33)10(18(9)41-2)3-4-43-46(37,38)8-47(39,40)44-6-12-16(34)17(35)21(45-12)32-7-29-14-19(28)30-23(24(25,26)27)31-20(14)32/h7,12,16-17,21,33-35H,3-6,8H2,1-2H3,(H,37,38)(H,39,40)(H2,28,30,31)/t12-,16-,17-,21-/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM19267
PNG
(CHEMBL392204 | Mycophenolic Adenine Dinucleotide (...)
Show SMILES CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C25H33N5O13P2/c1-4-15-28-22(26)17-23(29-15)30(9-27-17)24-20(33)19(32)14(43-24)8-42-45(37,38)10-44(35,36)41-6-5-12-18(31)16-13(7-40-25(16)34)11(2)21(12)39-3/h9,14,19-20,24,31-33H,4-8,10H2,1-3H3,(H,35,36)(H,37,38)(H2,26,28,29)/t14-,19-,20-,24-/m1/s1
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16n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494909
PNG
(CHEMBL3098183)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](C(C)C)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C32H41N7O9/c1-14(2)22(30(44)34-10-19-25(42)26(43)31(48-19)39-13-37-23-28(33)35-12-36-29(23)39)38-20(40)9-7-15(3)6-8-17-24(41)21-18(11-47-32(21)45)16(4)27(17)46-5/h6,12-14,19,22,25-26,31,41-43H,7-11H2,1-5H3,(H,34,44)(H,38,40)(H2,33,35,36)/b15-6+/t19-,22+,25-,26-,31-/m1/s1
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19n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494933
PNG
(CHEMBL3098168)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H30N2O7/c1-15(8-10-19-25(32)24-20(14-37-28(24)35)16(2)26(19)36-3)9-11-23(31)30-22(27(33)34)12-17-13-29-21-7-5-4-6-18(17)21/h4-8,13,22,29,32H,9-12,14H2,1-3H3,(H,30,31)(H,33,34)/b15-8+/t22-/m1/s1
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32n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494944
PNG
(CHEMBL3098163)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C36H41N7O9/c1-18(9-11-21-28(45)26-22(15-51-36(26)49)19(2)31(21)50-3)10-12-25(44)42-23(13-20-7-5-4-6-8-20)34(48)38-14-24-29(46)30(47)35(52-24)43-17-41-27-32(37)39-16-40-33(27)43/h4-9,16-17,23-24,29-30,35,45-47H,10-15H2,1-3H3,(H,38,48)(H,42,44)(H2,37,39,40)/b18-9+/t23-,24-,29-,30-,35-/m1/s1
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38n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494913
PNG
(CHEMBL3098179)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)nc2c(N)ncnc12
Show InChI InChI=1S/C23H28BrN5O13P2/c1-9-11-5-39-22(33)13(11)15(30)10(18(9)38-2)3-4-40-43(34,35)8-44(36,37)41-6-12-16(31)17(32)21(42-12)29-20-14(28-23(29)24)19(25)26-7-27-20/h7,12,16-17,21,30-32H,3-6,8H2,1-2H3,(H,34,35)(H,36,37)(H2,25,26,27)/t12-,16-,17-,21-/m1/s1
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39n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494942
PNG
(CHEMBL3098169)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C38H42N8O9/c1-18(8-10-22-30(48)28-23(15-54-38(28)52)19(2)33(22)53-3)9-11-27(47)45-25(12-20-13-40-24-7-5-4-6-21(20)24)36(51)41-14-26-31(49)32(50)37(55-26)46-17-44-29-34(39)42-16-43-35(29)46/h4-8,13,16-17,25-26,31-32,37,40,48-50H,9-12,14-15H2,1-3H3,(H,41,51)(H,45,47)(H2,39,42,43)/b18-8+/t25-,26-,31-,32-,37-/m1/s1
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56n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494927
PNG
(CHEMBL3098165)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H30N2O7/c1-15(8-10-19-25(32)24-20(14-37-28(24)35)16(2)26(19)36-3)9-11-23(31)30-22(27(33)34)12-17-13-29-21-7-5-4-6-18(17)21/h4-8,13,22,29,32H,9-12,14H2,1-3H3,(H,30,31)(H,33,34)/b15-8+/t22-/m0/s1
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56n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494911
PNG
(CHEMBL3098190)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccco1
Show InChI InChI=1S/C27H31N5O14P2/c1-12-14-8-43-27(36)17(14)19(33)13(22(12)41-2)5-7-44-47(37,38)11-48(39,40)45-9-16-20(34)21(35)26(46-16)32-10-29-18-23(28)30-24(31-25(18)32)15-4-3-6-42-15/h3-4,6,10,16,20-21,26,33-35H,5,7-9,11H2,1-2H3,(H,37,38)(H,39,40)(H2,28,30,31)/t16-,20-,21-,26-/m1/s1
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63n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494912
PNG
(CHEMBL3098192)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(COCc3ccccc3)nc12
Show InChI InChI=1S/C31H37N5O14P2/c1-16-19-11-47-31(40)22(19)24(37)18(27(16)45-2)8-9-48-51(41,42)15-52(43,44)49-12-20-25(38)26(39)30(50-20)36-14-33-23-28(32)34-21(35-29(23)36)13-46-10-17-6-4-3-5-7-17/h3-7,14,20,25-26,30,37-39H,8-13,15H2,1-2H3,(H,41,42)(H,43,44)(H2,32,34,35)/t20-,25-,26-,30-/m1/s1
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70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494906
PNG
(CHEMBL3098191)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1cccs1
Show InChI InChI=1S/C27H31N5O13P2S/c1-12-14-8-42-27(36)17(14)19(33)13(22(12)41-2)5-6-43-46(37,38)11-47(39,40)44-9-15-20(34)21(35)26(45-15)32-10-29-18-23(28)30-24(31-25(18)32)16-4-3-7-48-16/h3-4,7,10,15,20-21,26,33-35H,5-6,8-9,11H2,1-2H3,(H,37,38)(H,39,40)(H2,28,30,31)/t15-,20-,21-,26-/m1/s1
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82n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50282635
PNG
((1R,7R,9aS)-7-Decyl-octahydro-quinolizin-1-ol | CH...)
Show SMILES CCCCCCCCCC[C@@H]1CC[C@H]2[C@H](O)CCCN2C1
Show InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18+,19-/m1/s1
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its activity to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase, activity expressed as Ki


Bioorg Med Chem Lett 4: 1317-1318 (1994)


Article DOI: 10.1016/S0960-894X(01)80352-8
BindingDB Entry DOI: 10.7270/Q23T9H5P
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494921
PNG
(CHEMBL2437272)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C22H29NO7/c1-11(2)18(21(26)27)23-16(24)9-7-12(3)6-8-14-19(25)17-15(10-30-22(17)28)13(4)20(14)29-5/h6,11,18,25H,7-10H2,1-5H3,(H,23,24)(H,26,27)/b12-6+/t18-/m0/s1
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132n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494934
PNG
(CHEMBL3098167)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C29H32N2O7/c1-16(9-11-20-26(33)25-21(15-38-29(25)35)17(2)27(20)36-3)10-12-24(32)31-23(28(34)37-4)13-18-14-30-22-8-6-5-7-19(18)22/h5-9,14,23,30,33H,10-13,15H2,1-4H3,(H,31,32)/b16-9+/t23-/m1/s1
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144n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494939
PNG
(CHEMBL3098180)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C27H31N5O9/c1-12(4-6-14-20(34)18-15(8-40-27(18)37)13(2)23(14)38-3)5-7-17(33)39-9-16-21(35)22(36)26(41-16)32-11-31-19-24(28)29-10-30-25(19)32/h4,10-11,16,21-22,26,34-36H,5-9H2,1-3H3,(H2,28,29,30)/b12-4+/t16-,21-,22-,26-/m1/s1
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163n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494919
PNG
(CHEMBL3098166)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C38H42N8O9/c1-18(8-10-22-30(48)28-23(15-54-38(28)52)19(2)33(22)53-3)9-11-27(47)45-25(12-20-13-40-24-7-5-4-6-21(20)24)36(51)41-14-26-31(49)32(50)37(55-26)46-17-44-29-34(39)42-16-43-35(29)46/h4-8,13,16-17,25-26,31-32,37,40,48-50H,9-12,14-15H2,1-3H3,(H,41,51)(H,45,47)(H2,39,42,43)/b18-8+/t25-,26+,31+,32+,37+/m0/s1
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164n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494936
PNG
(CHEMBL3098186)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C36H41N7O9/c1-18(9-11-21-28(45)26-22(15-51-36(26)49)19(2)31(21)50-3)10-12-25(44)42-23(13-20-7-5-4-6-8-20)34(48)38-14-24-29(46)30(47)35(52-24)43-17-41-27-32(37)39-16-40-33(27)43/h4-9,16-17,23-24,29-30,35,45-47H,10-15H2,1-3H3,(H,38,48)(H,42,44)(H2,37,39,40)/b18-9+/t23-,24+,29+,30+,35+/m0/s1
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259n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494923
PNG
(CHEMBL3098185)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NCC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C29H35N7O9/c1-13(4-6-15-22(39)20-16(10-44-29(20)42)14(2)25(15)43-3)5-7-18(37)32-9-19(38)31-8-17-23(40)24(41)28(45-17)36-12-35-21-26(30)33-11-34-27(21)36/h4,11-12,17,23-24,28,39-41H,5-10H2,1-3H3,(H,31,38)(H,32,37)(H2,30,33,34)/b13-4+/t17-,23-,24-,28-/m1/s1
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259n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494917
PNG
(CHEMBL3098182)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C27H32N6O8/c1-12(4-6-14-20(35)18-15(9-40-27(18)38)13(2)23(14)39-3)5-7-17(34)29-8-16-21(36)22(37)26(41-16)33-11-32-19-24(28)30-10-31-25(19)33/h4,10-11,16,21-22,26,35-37H,5-9H2,1-3H3,(H,29,34)(H2,28,30,31)/b12-4+/t16-,21-,22-,26-/m1/s1
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265n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM19265
PNG
(C2-Mycophenolic Adenine Dinucleotide (C2-MDA) | CH...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1
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300n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494910
PNG
(CHEMBL3098178)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)cccc12
Show InChI InChI=1S/C25H31N3O13P2/c1-12-14-8-38-25(32)18(14)20(29)13(23(12)37-2)6-7-39-42(33,34)11-43(35,36)40-9-17-21(30)22(31)24(41-17)28-10-27-19-15(26)4-3-5-16(19)28/h3-5,10,17,21-22,24,29-31H,6-9,11,26H2,1-2H3,(H,33,34)(H,35,36)/t17-,21-,22-,24-/m1/s1
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491n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50282634
PNG
((1R,7S,9aS)-7-Decyl-octahydro-quinolizin-1-ol | CH...)
Show SMILES CCCCCCCCCC[C@H]1CC[C@H]2[C@H](O)CCCN2C1
Show InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-11-17-13-14-18-19(21)12-10-15-20(18)16-17/h17-19,21H,2-16H2,1H3/t17-,18-,19+/m0/s1
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510n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for its activity to inhibit rat liver 2,3-oxidosqualene-lanosterol cyclase, activity expressed as Ki


Bioorg Med Chem Lett 4: 1317-1318 (1994)


Article DOI: 10.1016/S0960-894X(01)80352-8
BindingDB Entry DOI: 10.7270/Q23T9H5P
More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494938
PNG
(CHEMBL2437258)
Show SMILES COC(=O)CNC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C20H25NO7/c1-11(6-8-15(22)21-9-16(23)26-3)5-7-13-18(24)17-14(10-28-20(17)25)12(2)19(13)27-4/h5,24H,6-10H2,1-4H3,(H,21,22)/b11-5+
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522n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494915
PNG
(CHEMBL3098164)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C29H32N2O7/c1-16(9-11-20-26(33)25-21(15-38-29(25)35)17(2)27(20)36-3)10-12-24(32)31-23(28(34)37-4)13-18-14-30-22-8-6-5-7-19(18)22/h5-9,14,23,30,33H,10-13,15H2,1-4H3,(H,31,32)/b16-9+/t23-/m0/s1
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733n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494937
PNG
(CHEMBL2437254)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29NO7/c1-15(10-12-21(28)27-20(25(30)31)13-17-7-5-4-6-8-17)9-11-18-23(29)22-19(14-34-26(22)32)16(2)24(18)33-3/h4-9,20,29H,10-14H2,1-3H3,(H,27,28)(H,30,31)/b15-9+/t20-/m0/s1
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854n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494930
PNG
(CHEMBL3098177)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(cccc12)[N+]([O-])=O
Show InChI InChI=1S/C25H29N3O15P2/c1-12-14-8-40-25(32)18(14)20(29)13(23(12)39-2)6-7-41-44(35,36)11-45(37,38)42-9-17-21(30)22(31)24(43-17)27-10-26-19-15(27)4-3-5-16(19)28(33)34/h3-5,10,17,21-22,24,29-31H,6-9,11H2,1-2H3,(H,35,36)(H,37,38)/t17-,21-,22-,24-/m1/s1
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876n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494916
PNG
(CHEMBL2437269)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)NCC(O)=O
Show InChI InChI=1S/C19H23NO7/c1-10(5-7-14(21)20-8-15(22)23)4-6-12-17(24)16-13(9-27-19(16)25)11(2)18(12)26-3/h4,24H,5-9H2,1-3H3,(H,20,21)(H,22,23)/b10-4+
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892n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494926
PNG
(CHEMBL3098176)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C22H27NO7/c1-12(7-9-17(24)23-10-4-5-16(23)21(26)27)6-8-14-19(25)18-15(11-30-22(18)28)13(2)20(14)29-3/h6,16,25H,4-5,7-11H2,1-3H3,(H,26,27)/b12-6+/t16-/m0/s1
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906n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494932
PNG
(CHEMBL3098172)
Show SMILES COC(=O)[C@H](CO)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C21H27NO8/c1-11(6-8-16(24)22-15(9-23)20(26)29-4)5-7-13-18(25)17-14(10-30-21(17)27)12(2)19(13)28-3/h5,15,23,25H,6-10H2,1-4H3,(H,22,24)/b11-5+/t15-/m0/s1
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1.02E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494907
PNG
(CHEMBL3098171)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H29NO8/c1-14(4-10-18-23(30)22-19(13-35-26(22)33)15(2)24(18)34-3)5-11-21(29)27-20(25(31)32)12-16-6-8-17(28)9-7-16/h4,6-9,20,28,30H,5,10-13H2,1-3H3,(H,27,29)(H,31,32)/b14-4+/t20-/m0/s1
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1.68E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494945
PNG
(CHEMBL3098170)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C27H31NO8/c1-15(5-11-19-24(31)23-20(14-36-27(23)33)16(2)25(19)34-3)6-12-22(30)28-21(26(32)35-4)13-17-7-9-18(29)10-8-17/h5,7-10,21,29,31H,6,11-14H2,1-4H3,(H,28,30)/b15-5+/t21-/m0/s1
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1.83E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494928
PNG
(CHEMBL2437273)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](C(C)C)C(O)=O
Show InChI InChI=1S/C22H29NO7/c1-11(2)18(21(26)27)23-16(24)9-7-12(3)6-8-14-19(25)17-15(10-30-22(17)28)13(4)20(14)29-5/h6,11,18,25H,7-10H2,1-5H3,(H,23,24)(H,26,27)/b12-6+/t18-/m1/s1
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2.04E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494931
PNG
(CHEMBL3098174)
Show SMILES COC(=O)[C@H](CCSC)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C23H31NO7S/c1-13(7-9-18(25)24-17(10-11-32-5)22(27)30-4)6-8-15-20(26)19-16(12-31-23(19)28)14(2)21(15)29-3/h6,17,26H,7-12H2,1-5H3,(H,24,25)/b13-6+/t17-/m0/s1
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2.20E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494925
PNG
(CHEMBL3098181)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C27H31N5O9/c1-12(4-6-14-20(34)18-15(8-40-27(18)37)13(2)23(14)38-3)5-7-17(33)39-9-16-21(35)22(36)26(41-16)32-11-31-19-24(28)29-10-30-25(19)32/h4,10-11,16,21-22,26,34-36H,5-9H2,1-3H3,(H2,28,29,30)/b12-4+/t16-,21-,22-,26-/m0/s1
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2.55E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494914
PNG
(CHEMBL3098173)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C20H25NO8/c1-10(5-7-15(23)21-14(8-22)19(25)26)4-6-12-17(24)16-13(9-29-20(16)27)11(2)18(12)28-3/h4,14,22,24H,5-9H2,1-3H3,(H,21,23)(H,25,26)/b10-4+/t14-/m0/s1
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2.81E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494908
PNG
(CHEMBL2437261)
Show SMILES COC(=O)[C@@H](NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC)C(C)C
Show InChI InChI=1S/C23H31NO7/c1-12(2)19(23(28)30-6)24-17(25)10-8-13(3)7-9-15-20(26)18-16(11-31-22(18)27)14(4)21(15)29-5/h7,12,19,26H,8-11H2,1-6H3,(H,24,25)/b13-7+/t19-/m0/s1
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3.77E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494935
PNG
(CHEMBL2437255)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29NO7/c1-15(10-12-21(28)27-20(25(30)31)13-17-7-5-4-6-8-17)9-11-18-23(29)22-19(14-34-26(22)32)16(2)24(18)33-3/h4-9,20,29H,10-14H2,1-3H3,(H,27,28)(H,30,31)/b15-9+/t20-/m1/s1
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4.31E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494920
PNG
(CHEMBL2437265)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C27H31NO7/c1-16(10-12-19-24(30)23-20(15-35-27(23)32)17(2)25(19)33-3)11-13-22(29)28-21(26(31)34-4)14-18-8-6-5-7-9-18/h5-10,21,30H,11-15H2,1-4H3,(H,28,29)/b16-10+/t21-/m0/s1
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4.36E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494918
PNG
(CHEMBL3098175)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)N[C@@H](CCSC)C(O)=O
Show InChI InChI=1S/C22H29NO7S/c1-12(6-8-17(24)23-16(21(26)27)9-10-31-4)5-7-14-19(25)18-15(11-30-22(18)28)13(2)20(14)29-3/h5,16,25H,6-11H2,1-4H3,(H,23,24)(H,26,27)/b12-5+/t16-/m0/s1
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5.13E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494922
PNG
(CHEMBL2437266)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC
Show InChI InChI=1S/C27H31NO7/c1-16(10-12-19-24(30)23-20(15-35-27(23)32)17(2)25(19)33-3)11-13-22(29)28-21(26(31)34-4)14-18-8-6-5-7-9-18/h5-10,21,30H,11-15H2,1-4H3,(H,28,29)/b16-10+/t21-/m1/s1
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5.56E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Homo sapiens (Human))
BDBM50494924
PNG
(CHEMBL2437262)
Show SMILES COC(=O)[C@H](NC(=O)CC\C(C)=C\Cc1c(O)c2C(=O)OCc2c(C)c1OC)C(C)C
Show InChI InChI=1S/C23H31NO7/c1-12(2)19(23(28)30-6)24-17(25)10-8-13(3)7-9-15-20(26)18-16(11-31-22(18)27)14(4)21(15)29-5/h7,12,19,26H,8-11H2,1-6H3,(H,24,25)/b13-7+/t19-/m1/s1
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7.72E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IMPDH1 (unknown origin)


Bioorg Med Chem Lett 24: 332-6 (2014)

More data for this
Ligand-Target Pair