Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'al-razzak' and Initial = 'la'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Thymidylate synthase (Lactobacillus casei)	BDBM50226709 (CHEMBL3143111) Show SMILES CC1=C(C)C(=O)C(=CC1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,c:1,6| 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)/t12-,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50021750 (CHEMBL3143104 | Phosphoric acid mono-{3-hydroxy-5-...) Show SMILES CC1=C(C(=O)c2ccccc2C1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,t:1| 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50021748 (CHEMBL3143138 | Phosphoric acid mono-{5-[5-(4,5-di...) Show SMILES CC1=C(C)C(=O)C(=C(C)C1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,c:1,t:6| 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50021746 (CHEMBL3143107 | Phosphoric acid mono-{5-[5-(2,5-di...) Show SMILES COc1c(C)c(C)c(OC)c(c1C)-c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,wU:16.16,20.21,wD:18.19,(6.41,-2.05,;4.88,-2.21,;4.25,-3.62,;5.16,-4.87,;6.69,-4.7,;4.53,-6.27,;5.44,-7.52,;3,-6.43,;2.38,-7.84,;3.28,-9.09,;2.1,-5.19,;2.72,-3.78,;1.82,-2.53,;.57,-5.35,;-.34,-4.1,;-1.87,-4.26,;-2.78,-3.02,;-4.32,-3.02,;-4.79,-1.55,;-6.26,-1.08,;-3.55,-.65,;-3.55,.89,;-4.88,1.66,;-4.88,3.2,;-6.42,3.2,;-3.34,3.2,;-4.88,4.74,;-2.3,-1.55,;-2.5,-5.67,;-4.03,-5.83,;-1.59,-6.92,;-.06,-6.75,;.84,-8,)| 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50021750 (CHEMBL3143104 | Phosphoric acid mono-{3-hydroxy-5-...) Show SMILES CC1=C(C(=O)c2ccccc2C1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,t:1| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50021749 (CHEMBL3144392 | Phosphoric acid mono-{5-[5-(3,6-di...) Show SMILES O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C2=CC(=O)C=CC2=O)c(=O)[nH]c1=O |r,c:20,t:16| 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50021751 (CHEMBL3143106 | Phosphoric acid mono-{5-[5-(1,4-di...) Show SMILES COc1c(C)c(c(OC)c2ccccc12)-c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,wU:18.19,22.24,wD:20.22,(5.33,.71,;4,-.06,;4,-1.6,;2.66,-2.37,;1.33,-1.6,;2.66,-3.91,;4,-4.68,;4,-6.22,;5.33,-6.99,;5.33,-3.91,;6.66,-4.68,;8,-3.91,;8,-2.37,;6.66,-1.6,;5.33,-2.37,;1.33,-4.68,;-0,-3.91,;-1.34,-4.68,;-2.67,-3.91,;-4.08,-4.54,;-5.11,-3.39,;-6.64,-3.56,;-4.34,-2.06,;-4.96,-.65,;-6.5,-.49,;-7.12,.91,;-8.53,.29,;-5.72,1.54,;-7.75,2.32,;-2.83,-2.38,;-1.34,-6.22,;-2.67,-6.99,;-0,-6.99,;1.33,-6.22,;2.66,-6.99,)| 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50024666 ((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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q23F4NNX
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50021752 (CHEMBL3143105 | Phosphoric acid mono-{5-[5-(2,5-di...) Show SMILES COc1cc(c(OC)c(C)c1C)-c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r| 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50021748 (CHEMBL3143138 | Phosphoric acid mono-{5-[5-(4,5-di...) Show SMILES CC1=C(C)C(=O)C(=C(C)C1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,c:1,t:6| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair
Thymidylate synthase (Mus musculus)	BDBM50226709 (CHEMBL3143111) Show SMILES CC1=C(C)C(=O)C(=CC1=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r,c:1,6| 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)/t12-,13+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2NP23DS
					More data for this Ligand-Target Pair