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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'ahluwalia' and Initial = 'gs'   
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 2


(Mus musculus)
BDBM50025520
PNG
(CHEMBL3144029)
Show SMILES CC(C)CCNC(=O)C(C)NC(=O)CCC(CC(C)C)NC(=O)[C@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O4/c1-16(2)12-13-27-25(33)20(9)28-22(31)11-10-21(14-17(3)4)29-26(34)24(19(7)8)30-23(32)15-18(5)6/h16-21,24H,10-15H2,1-9H3,(H,27,33)(H,28,31)(H,29,34)(H,30,32)/t20?,21?,24-/m1/s1
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)


Article DOI: 10.1021/jm00159a027
BindingDB Entry DOI: 10.7270/Q2348MK1
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50421763
PNG
(CHEMBL2364562)
Show SMILES NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8+,10-,11+,12-,13+,14-,19+/m0/s1
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)


Article DOI: 10.1021/jm00159a027
BindingDB Entry DOI: 10.7270/Q2348MK1
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50019476
PNG
(CHEMBL3144396 | CHEMBL48277 | alpha-methylene-Thia...)
Show SMILES NC(=O)c1csc(n1)C1OC(CCP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-5-23-16)27(6-25-10)20-14(31)12(29)9(39-20)3-37-42(35,36)40-41(33,34)2-1-8-11(28)13(30)15(38-8)19-26-7(4-43-19)17(22)32/h4-6,8-9,11-15,20,28-31H,1-3H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)
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1.97E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)


Article DOI: 10.1021/jm00159a027
BindingDB Entry DOI: 10.7270/Q2348MK1
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2


(Mus musculus)
BDBM50019477
PNG
(CHEMBL3144394 | CHEMBL49226 | gama-methylene-Thiaz...)
Show SMILES NC(=O)c1csc(n1)C1OC(COP(O)(=O)OP(O)(=O)CCC2OC(C(O)C2O)n2cnc3c(N)ncnc23)C(O)C1O
Show InChI InChI=1S/C20H27N7O13P2S/c21-16-10-18(24-5-23-16)27(6-25-10)20-14(31)11(28)8(39-20)1-2-41(33,34)40-42(35,36)37-3-9-12(29)13(30)15(38-9)19-26-7(4-43-19)17(22)32/h4-6,8-9,11-15,20,28-31H,1-3H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)
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1.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Inosine-5'-monophosphate dehydrogenase, the type of inhibition in not competitive


J Med Chem 29: 1726-31 (1986)


Article DOI: 10.1021/jm00159a027
BindingDB Entry DOI: 10.7270/Q2348MK1
More data for this
Ligand-Target Pair