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Compile Data Set for Download or QSAR

Found 14 hits from Celltech R and D   
Target/Host
(Institution)
LigandTarget/Host
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 Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160371
PNG
(7-Methoxy-6-oxazol-5-yl-3-(2-pyridin-4-yl-ethyl)-2...)
Show SMILES COc1cc2[nH]c(=S)n(CCc3ccncc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C19H16N4O3S/c1-25-16-9-15-13(8-14(16)17-10-21-11-26-17)18(24)23(19(27)22-15)7-4-12-2-5-20-6-3-12/h2-3,5-6,8-11H,4,7H2,1H3,(H,22,27)
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n/an/a 13n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160379
PNG
(7-Methoxy-3-methyl-6-oxazol-5-yl-2-thioxo-2,3-dihy...)
Show SMILES COc1cc2[nH]c(=S)n(C)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C13H11N3O3S/c1-16-12(17)7-3-8(11-5-14-6-19-11)10(18-2)4-9(7)15-13(16)20/h3-6H,1-2H3,(H,15,20)
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n/an/a 17n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160378
PNG
(3-(3-Imidazol-1-yl-propyl)-7-methoxy-6-oxazol-5-yl...)
Show SMILES COc1cc2[nH]c(=S)n(CCCn3ccnc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C18H17N5O3S/c1-25-15-8-14-12(7-13(15)16-9-20-11-26-16)17(24)23(18(27)21-14)5-2-4-22-6-3-19-10-22/h3,6-11H,2,4-5H2,1H3,(H,21,27)
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n/an/a 22n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160375
PNG
(7-Methoxy-6-oxazol-5-yl-2-thioxo-2,3-dihydro-1H-qu...)
Show SMILES COc1cc2[nH]c(=S)[nH]c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C12H9N3O3S/c1-17-9-3-8-6(11(16)15-12(19)14-8)2-7(9)10-4-13-5-18-10/h2-5H,1H3,(H2,14,15,16,19)
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n/an/a 30n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160374
PNG
(3-[2-(1H-Imidazol-4-yl)-ethyl]-7-methoxy-6-oxazol-...)
Show SMILES COc1cc2[nH]c(=O)n(CCc3cnc[nH]3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C17H15N5O4/c1-25-14-5-13-11(4-12(14)15-7-19-9-26-15)16(23)22(17(24)21-13)3-2-10-6-18-8-20-10/h4-9H,2-3H2,1H3,(H,18,20)(H,21,24)
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n/an/a 47n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160368
PNG
(7-Methoxy-3-(2-morpholin-4-yl-ethyl)-6-oxazol-5-yl...)
Show SMILES COc1cc2[nH]c(=S)n(CCN3CCOCC3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C18H20N4O4S/c1-24-15-9-14-12(8-13(15)16-10-19-11-26-16)17(23)22(18(27)20-14)3-2-21-4-6-25-7-5-21/h8-11H,2-7H2,1H3,(H,20,27)
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n/an/a 71n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160370
PNG
(3-(2-Imidazol-1-yl-ethyl)-7-methoxy-6-oxazol-5-yl-...)
Show SMILES COc1cc2[nH]c(=O)n(CCn3ccnc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C17H15N5O4/c1-25-14-7-13-11(6-12(14)15-8-19-10-26-15)16(23)22(17(24)20-13)5-4-21-3-2-18-9-21/h2-3,6-10H,4-5H2,1H3,(H,20,24)
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n/an/a 86n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160372
PNG
(7-Methoxy-6-oxazol-5-yl-3-(2-pyridin-2-yl-ethyl)-2...)
Show SMILES COc1cc2[nH]c(=S)n(CCc3ccccn3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C19H16N4O3S/c1-25-16-9-15-13(8-14(16)17-10-20-11-26-17)18(24)23(19(27)22-15)7-5-12-4-2-3-6-21-12/h2-4,6,8-11H,5,7H2,1H3,(H,22,27)
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n/an/a 91n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160373
PNG
(7-Methoxy-6-oxazol-5-yl-3-pyridin-4-ylmethyl-2-thi...)
Show SMILES COc1cc2[nH]c(=S)n(Cc3ccncc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C18H14N4O3S/c1-24-15-7-14-12(6-13(15)16-8-20-10-25-16)17(23)22(18(26)21-14)9-11-2-4-19-5-3-11/h2-8,10H,9H2,1H3,(H,21,26)
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n/an/a 100n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160367
PNG
(7-Methoxy-3-methyl-6-oxazol-5-yl-1H-quinazoline-2,...)
Show SMILES COc1cc2[nH]c(=O)n(C)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C13H11N3O4/c1-16-12(17)7-3-8(11-5-14-6-20-11)10(19-2)4-9(7)15-13(16)18/h3-6H,1-2H3,(H,15,18)
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n/an/a 104n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160369
PNG
(7-Methoxy-6-oxazol-5-yl-3-(2-pyridin-4-yl-ethyl)-1...)
Show SMILES COc1cc2[nH]c(=O)n(CCc3ccncc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C19H16N4O4/c1-26-16-9-15-13(8-14(16)17-10-21-11-27-17)18(24)23(19(25)22-15)7-4-12-2-5-20-6-3-12/h2-3,5-6,8-11H,4,7H2,1H3,(H,22,25)
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n/an/a 188n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160380
PNG
(7-Methoxy-3-(2-morpholin-4-yl-ethyl)-6-oxazol-5-yl...)
Show SMILES COc1cc2[nH]c(=O)n(CCN3CCOCC3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C18H20N4O5/c1-25-15-9-14-12(8-13(15)16-10-19-11-27-16)17(23)22(18(24)20-14)3-2-21-4-6-26-7-5-21/h8-11H,2-7H2,1H3,(H,20,24)
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n/an/a 297n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160377
PNG
(3-(2,2-Dimethyl-propyl)-7-methoxy-6-oxazol-5-yl-2-...)
Show SMILES COc1cc2[nH]c(=S)n(CC(C)(C)C)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C17H19N3O3S/c1-17(2,3)8-20-15(21)10-5-11(14-7-18-9-23-14)13(22-4)6-12(10)19-16(20)24/h5-7,9H,8H2,1-4H3,(H,19,24)
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n/an/a 821n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50160376
PNG
(7-Methoxy-6-oxazol-5-yl-3-pyridin-3-yl-2-thioxo-2,...)
Show SMILES COc1cc2[nH]c(=S)n(-c3cccnc3)c(=O)c2cc1-c1cnco1
Show InChI InChI=1S/C17H12N4O3S/c1-23-14-6-13-11(5-12(14)15-8-19-9-24-15)16(22)21(17(25)20-13)10-3-2-4-18-7-10/h2-9H,1H3,(H,20,25)
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n/an/a 1.71E+3n/an/an/an/an/an/a



Celltech R and D

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against inosine-5'-monophosphate dehydrogenase


Bioorg Med Chem Lett 15: 751-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.015
BindingDB Entry DOI: 10.7270/Q2RN37CZ
More data for this
Ligand-Target Pair