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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'wong' and Initial = 'cg'   
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
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))
BDBM50326433
PNG
(((2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5+,6+,9-/m1/s1
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KEGG

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CHEMBL
PC cid
PC sid
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PubMed
3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))
BDBM50225284
PNG
(CHEMBL610153)
Show SMILES COc1nc(O)c2ncn(C3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H15N4O9P/c1-22-11-13-8-5(9(18)14-11)12-3-15(8)10-7(17)6(16)4(24-10)2-23-25(19,20)21/h3-4,6-7,10,16-17H,2H2,1H3,(H,13,14,18)(H2,19,20,21)/t4-,6-,7-,10?/m0/s1
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KEGG

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4.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))
BDBM50225282
PNG
(CHEMBL611590)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c(O)nc(Cl)nc12 |r|
Show InChI InChI=1S/C10H12ClN4O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,13,14,18)(H2,19,20,21)/t3-,5-,6-,9?/m0/s1
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KEGG

UniProtKB/SwissProt

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1.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))
BDBM50225281
PNG
(CHEMBL609835)
Show SMILES CCCc1nc(O)c2ncn(C3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C13H19N4O8P/c1-2-3-7-15-11-8(12(20)16-7)14-5-17(11)13-10(19)9(18)6(25-13)4-24-26(21,22)23/h5-6,9-10,13,18-19H,2-4H2,1H3,(H,15,16,20)(H2,21,22,23)/t6-,9-,10-,13?/m0/s1
PDB
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KEGG

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1.90E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 1/2


(Homo sapiens (Human))
BDBM50225283
PNG
(CHEMBL610157)
Show SMILES Cc1nc(O)c2ncn(C3O[C@@H](COP(O)(O)=O)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H15N4O8P/c1-4-13-9-6(10(18)14-4)12-3-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,16-17H,2H2,1H3,(H,13,14,18)(H2,19,20,21)/t5-,7-,8-,11?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
6.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Inosine-5'-monophosphate dehydrogenase isolated from Escherichia coli


J Med Chem 27: 429-32 (1984)


BindingDB Entry DOI: 10.7270/Q2FJ2HZP
More data for this
Ligand-Target Pair