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Compile Data Set for Download or QSAR

Found 17 hits of ic50 data for polymerid = 50006807   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100981
PNG
(CHEMBL2178644)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N3O2/c1-11(26-28)12-5-4-6-13(9-12)18(2,3)25-17(27)24-14-7-8-16(20)15(10-14)19(21,22)23/h4-10,28H,1-3H3,(H2,24,25,27)/b26-11+
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n/an/a 2n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100958
PNG
(CHEMBL3329562)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+
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n/an/a 4n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50432765
PNG
(CHEMBL2348794)
Show SMILES C[C@H](Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H16Cl2N4O2/c1-12(25-16-4-2-3-15(22)19(16)23)20(28)26-14-5-6-18-17(11-14)27-21(29-18)13-7-9-24-10-8-13/h2-12,25H,1H3,(H,26,28)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50398417
PNG
(CHEMBL2178652)
Show SMILES CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H20ClF3N2O/c1-12(2)13-6-5-7-14(10-13)19(3,4)26-18(27)25-15-8-9-17(21)16(11-15)20(22,23)24/h5-11H,1H2,2-4H3,(H2,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50432774
PNG
(CHEMBL2348627)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2nc(oc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-17-4-2-3-15(22)19(17)23)20(27)25-14-5-6-16-18(11-14)29-21(26-16)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50432790
PNG
(CHEMBL2348796)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100959
PNG
(CHEMBL3329564)
Show SMILES CC(Oc1cccc(c1Cl)[N+]([O-])=O)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Show InChI InChI=1/C21H15ClN4O5/c1-12(30-18-4-2-3-16(19(18)22)26(28)29)20(27)24-14-5-6-17-15(11-14)25-21(31-17)13-7-9-23-10-8-13/h2-12H,1H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100894
PNG
(CHEMBL3329561)
Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O2/c1-11(23-25)12-5-4-6-13(9-12)18(2,3)22-17(24)21-14-7-8-15(19)16(20)10-14/h4-10,25H,1-3H3,(H2,21,22,24)/b23-11+
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n/an/a 95n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100961
PNG
(CHEMBL3329563)
Show SMILES CN1CCN(CC1)C(=O)c1cc(NC(=O)NC(C)(C)c2cccc(c2)C(\C)=N\O)ccc1Cl
Show InChI InChI=1S/C24H30ClN5O3/c1-16(28-33)17-6-5-7-18(14-17)24(2,3)27-23(32)26-19-8-9-21(25)20(15-19)22(31)30-12-10-29(4)11-13-30/h5-9,14-15,33H,10-13H2,1-4H3,(H2,26,27,32)/b28-16+
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n/an/a 100n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50378050
PNG
(CHEMBL557281)
Show SMILES CC(C)C(Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H20ClNO2/c1-14(2)20(21(24)23-17-12-10-16(22)11-13-17)25-19-9-5-7-15-6-3-4-8-18(15)19/h3-14,20H,1-2H3,(H,23,24)
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n/an/a 120n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100940
PNG
(CHEMBL3329559)
Show SMILES CC(Oc1ccc(cc1)-c1ccccc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1/C21H18ClNO2/c1-15(21(24)23-19-11-9-18(22)10-12-19)25-20-13-7-17(8-14-20)16-5-3-2-4-6-16/h2-15H,1H3,(H,23,24)
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n/an/a 150n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50378053
PNG
(CHEMBL564117)
Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)C2CC2)cc1
Show InChI InChI=1S/C21H18ClNO2/c22-16-10-12-17(13-11-16)23-21(24)20(15-8-9-15)25-19-7-3-5-14-4-1-2-6-18(14)19/h1-7,10-13,15,20H,8-9H2,(H,23,24)
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n/an/a 160n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50432770
PNG
(CHEMBL2348631)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C21H17Cl2N3O3/c1-13(29-18-7-3-6-17(22)19(18)23)20(27)25-15-4-2-5-16(12-15)26-21(28)14-8-10-24-11-9-14/h2-13H,1H3,(H,25,27)(H,26,28)/t13-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50100896
PNG
(CHEMBL3329560)
Show SMILES Brc1ccc(NC(=O)COc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H14BrNO2/c19-14-8-10-15(11-9-14)20-18(21)12-22-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,20,21)
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n/an/a 760n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50432768
PNG
(CHEMBL2348634)
Show SMILES C[C@H](C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-14(15-5-3-2-4-6-15)20(25)23-17-7-8-19-18(13-17)24-21(26-19)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,25)/t14-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50398426
PNG
(CHEMBL2178638)
Show SMILES CC(=O)c1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H15ClN2O2/c1-11(20)13-4-2-3-12(9-13)10-18-16(21)19-15-7-5-14(17)6-8-15/h2-9H,10H2,1H3,(H2,18,19,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Bacillus anthracis)
BDBM50378052
PNG
(CHEMBL564187)
Show SMILES Clc1ccc(NC(=O)C(Oc2cccc3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C24H18ClNO2/c25-19-13-15-20(16-14-19)26-24(27)23(18-8-2-1-3-9-18)28-22-12-6-10-17-7-4-5-11-21(17)22/h1-16,23H,(H,26,27)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before substrate addition by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair