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7 similar compounds to monomer 50405123

Wt: 529.4
BDBM50367007
Wt: 470.3
BDBM50367015
Wt: 515.3
BDBM50367016
Wt: 495.4
BDBM50367019
Wt: 515.3
BDBM50405116
Wt: 560.3
BDBM50405121
Wt: 504.8
BDBM50405126

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50367007,50367015,50367016,50367019,50405116,50405121,50405126   
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


(Escherichia coli (strain K12))
BDBM50367019
PNG
(CHEMBL603762)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(SCc2ccc(cc2)C#N)nc2c1nc[nH]c2=O
Show InChI InChI=1S/C18H18N5O8PS/c19-5-9-1-3-10(4-2-9)7-33-18-22-12-15(20-8-21-16(12)26)23(18)17-14(25)13(24)11(31-17)6-30-32(27,28)29/h1-4,8,11,13-14,17,24-25H,6-7H2,(H,20,21,26)(H2,27,28,29)/t11-,13-,14-,17?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
1.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

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


(Escherichia coli (strain K12))
BDBM50367016
PNG
(CHEMBL604181)
Show SMILES OC1C(COP(O)(O)=O)OC(C1O)n1c(SCc2ccc(cc2)[N+]([O-])=O)nc2c1nc[n-]c2=[OH+]
Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-14-11(15(25)19-7-18-14)20-17(21)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H3,18,19,25,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
2.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

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


(Escherichia coli (strain K12))
BDBM50367015
PNG
(CHEMBL606058)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)n1c(SCc2ccccc2)nc2c1nc[nH]c2=O
Show InChI InChI=1S/C17H19N4O8PS/c22-12-10(6-28-30(25,26)27)29-16(13(12)23)21-14-11(15(24)19-8-18-14)20-17(21)31-7-9-4-2-1-3-5-9/h1-5,8,10,12-13,16,22-23H,6-7H2,(H,18,19,24)(H2,25,26,27)/t10-,12-,13-,16?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

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


(Escherichia coli (strain K12))
BDBM50367007
PNG
(CHEMBL605641)
Show SMILES OC1C(COP(O)(O)=O)OC(C1O)n1c(SCCc2ccc(cc2)[N+]([O-])=O)nc2c1nc[n-]c2=[OH+]
Show InChI InChI=1S/C18H20N5O10PS/c24-13-11(7-32-34(29,30)31)33-17(14(13)25)22-15-12(16(26)20-8-19-15)21-18(22)35-6-5-9-1-3-10(4-2-9)23(27)28/h1-4,8,11,13-14,17,24-25H,5-7H2,(H3,19,20,26,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

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PubMed
5.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of inosine monophosphate dehydrogenase in Escherichia coli


J Med Chem 24: 1155-61 (1982)

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


(Escherichia coli (strain K12))
BDBM50405126
PNG
(CHEMBL611006)
Show SMILES O[C@H]1[C@H](COP(O)(O)=O)OC([C@H]1O)n1cnc2c1nc(SCc1ccccc1Cl)[nH]c2=O
Show InChI InChI=1S/C17H18ClN4O8PS/c18-9-4-2-1-3-8(9)6-32-17-20-14-11(15(25)21-17)19-7-22(14)16-13(24)12(23)10(30-16)5-29-31(26,27)28/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,20,21,25)(H2,26,27,28)/t10-,12-,13-,16?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
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PubMed
n/an/a 7.20E+4n/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)

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


(Escherichia coli (strain K12))
BDBM50405116
PNG
(CHEMBL612226)
Show SMILES O[C@H]1[C@H](CO[P+](O)(O)[O-])OC([C@H]1O)n1cnc2c1nc(SCc1ccc(cc1)[N+]([O-])=O)[nH]c2=O
Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.60E+4n/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)

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


(Escherichia coli (strain K12))
BDBM50405121
PNG
(CHEMBL608081)
Show SMILES O[C@H]1[C@H](CO[P+](O)(O)[O-])OC([C@H]1O)n1cnc2c1nc(SCc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)[nH]c2=O
Show InChI InChI=1S/C17H17N6O12PS/c24-12-10(4-34-36(31,32)33)35-16(13(12)25)21-6-18-11-14(21)19-17(20-15(11)26)37-5-7-1-8(22(27)28)3-9(2-7)23(29)30/h1-3,6,10,12-13,16,24-25H,4-5H2,(H,19,20,26)(H2,31,32,33)/t10-,12-,13-,16?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 8.50E+4n/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)

More data for this
Ligand-Target Pair