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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'al-razzak' and Initial = 'la'   
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
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021748
PNG
(CHEMBL415447 | Phosphoric acid mono-{5-[5-(4,5-dim...)
Show SMILES CC1=C(C)C(=O)C(=CC1=O)c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H19N2O10P/c1-7-8(2)15(22)9(3-11(7)20)10-5-19(17(24)18-16(10)23)14-4-12(21)13(29-14)6-28-30(25,26)27/h3,5,12-14,21H,4,6H2,1-2H3,(H,18,23,24)(H2,25,26,27)
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590n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021750
PNG
(CHEMBL132934 | Phosphoric acid mono-{3-hydroxy-5-[...)
Show SMILES CC1=C(C(=O)c2ccccc2C1=O)c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H19N2O10P/c1-9-16(18(25)11-5-3-2-4-10(11)17(9)24)12-7-22(20(27)21-19(12)26)15-6-13(23)14(32-15)8-31-33(28,29)30/h2-5,7,13-15,23H,6,8H2,1H3,(H,21,26,27)(H2,28,29,30)
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610n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021747
PNG
(CHEMBL133279 | Phosphoric acid mono-{5-[2,4-dioxo-...)
Show SMILES Cc1c(O)c(=C)c(c(O)c1=C)-c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H21N2O10P/c1-7-8(2)16(23)14(9(3)15(7)22)10-5-20(18(25)19-17(10)24)13-4-11(21)12(30-13)6-29-31(26,27)28/h5,11-13,21-23H,2-4,6H2,1H3,(H,19,24,25)(H2,26,27,28)
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021746
PNG
(CHEMBL132426 | Phosphoric acid mono-{5-[5-(2,5-dim...)
Show SMILES COc1c(C)c(C)c(OC)c(c1C)-c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H27N2O10P/c1-9-10(2)18(30-5)16(11(3)17(9)29-4)12-7-22(20(25)21-19(12)24)15-6-13(23)14(32-15)8-31-33(26,27)28/h7,13-15,23H,6,8H2,1-5H3,(H,21,24,25)(H2,26,27,28)
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50021750
PNG
(CHEMBL132934 | Phosphoric acid mono-{3-hydroxy-5-[...)
Show SMILES CC1=C(C(=O)c2ccccc2C1=O)c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H19N2O10P/c1-9-16(18(25)11-5-3-2-4-10(11)17(9)24)12-7-22(20(27)21-19(12)26)15-6-13(23)14(32-15)8-31-33(28,29)30/h2-5,7,13-15,23H,6,8H2,1H3,(H,21,26,27)(H2,28,29,30)
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1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from murine leukemia L1210 cells was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021749
PNG
(CHEMBL48230 | Phosphoric acid mono-{5-[5-(3,6-diox...)
Show SMILES OC1CC(OC1COP(O)(O)=O)n1cc(C2=CC(=O)C=CC2=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H15N2O10P/c18-7-1-2-10(19)8(3-7)9-5-17(15(22)16-14(9)21)13-4-11(20)12(27-13)6-26-28(23,24)25/h1-3,5,11-13,20H,4,6H2,(H,16,21,22)(H2,23,24,25)
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50024666
PNG
((1,4-Dimethoxy-3-methyl-naphthalen-2-yl)-phosphoni...)
Show SMILES COc1c(C)c(c(OC)c2ccccc12)P(O)(O)=O
Show InChI InChI=1S/C13H15O5P/c1-8-11(17-2)9-6-4-5-7-10(9)12(18-3)13(8)19(14,15)16/h4-7H,1-3H3,(H2,14,15,16)
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2.40E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity towards L. casei thymidylate synthase was determined


J Med Chem 30: 1705-6 (1987)


Article DOI: 10.1021/jm00393a001
BindingDB Entry DOI: 10.7270/Q23F4NNX
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021751
PNG
(CHEMBL134617 | Phosphoric acid mono-{5-[5-(1,4-dim...)
Show SMILES COc1c(C)c(c(OC)c2ccccc12)-c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H25N2O10P/c1-11-18(20(32-3)13-7-5-4-6-12(13)19(11)31-2)14-9-24(22(27)23-21(14)26)17-8-15(25)16(34-17)10-33-35(28,29)30/h4-7,9,15-17,25H,8,10H2,1-3H3,(H,23,26,27)(H2,28,29,30)
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2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50021752
PNG
(CHEMBL134170 | Phosphoric acid mono-{5-[5-(2,5-dim...)
Show SMILES COc1cc(c(OC)c(C)c1C)-c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H25N2O10P/c1-9-10(2)17(29-4)11(5-14(9)28-3)12-7-21(19(24)20-18(12)23)16-6-13(22)15(31-16)8-30-32(25,26)27/h5,7,13,15-16,22H,6,8H2,1-4H3,(H,20,23,24)(H2,25,26,27)
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3.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from L. casei was determined and expressed as inhibition constant (Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50021747
PNG
(CHEMBL133279 | Phosphoric acid mono-{5-[2,4-dioxo-...)
Show SMILES Cc1c(O)c(=C)c(c(O)c1=C)-c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H21N2O10P/c1-7-8(2)16(23)14(9(3)15(7)22)10-5-20(18(25)19-17(10)24)13-4-11(21)12(30-13)6-29-31(26,27)28/h5,11-13,21-23H,2-4,6H2,1H3,(H,19,24,25)(H2,26,27,28)
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5.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from murine leukemia L1210 cells was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair
Thymidylate synthase


(Mus musculus)
BDBM50021748
PNG
(CHEMBL415447 | Phosphoric acid mono-{5-[5-(4,5-dim...)
Show SMILES CC1=C(C)C(=O)C(=CC1=O)c1cn(C2CC(O)C(COP(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H19N2O10P/c1-7-8(2)15(22)9(3-11(7)20)10-5-19(17(24)18-16(10)23)14-4-12(21)13(29-14)6-28-30(25,26)27/h3,5,12-14,21H,4,6H2,1-2H3,(H,18,23,24)(H2,25,26,27)
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6.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the thymidylate synthase from murine leukemia L1210 cells was determined and expressed as inhibition constant(Ki)


J Med Chem 30: 409-19 (1987)


Article DOI: 10.1021/jm00385a026
BindingDB Entry DOI: 10.7270/Q2NP23DS
More data for this
Ligand-Target Pair