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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'afzal' and Initial = 'o'   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A2 (unknown origin)


Eur J Med Chem 83: 630-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.033
BindingDB Entry DOI: 10.7270/Q2BZ67MM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Monoglyceride lipase


(Homo sapiens (human))
BDBM50394389
PNG
(CHEMBL2159798)
Show SMILES O=C(N1CCN(Cc2ccccc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C18H19N5O/c24-18(23-17-9-5-4-8-16(17)19-20-23)22-12-10-21(11-13-22)14-15-6-2-1-3-7-15/h1-9H,10-14H2
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n/an/a 8n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50394371
PNG
(CHEMBL2159779)
Show SMILES O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C22H21N5O/c28-22(27-21-8-4-3-7-20(21)23-24-27)26-13-11-25(12-14-26)16-17-9-10-18-5-1-2-6-19(18)15-17/h1-10,15H,11-14,16H2
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n/an/a 9n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50394384
PNG
(CHEMBL2159803)
Show SMILES Brc1ccc(CN2CCN(CC2)C(=O)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C18H18BrN5O/c19-15-7-5-14(6-8-15)13-22-9-11-23(12-10-22)18(25)24-17-4-2-1-3-16(17)20-21-24/h1-8H,9-13H2
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n/an/a 9n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50049456
PNG
(CHEMBL3318318)
Show SMILES O=C(Cn1nnc2ccccc12)Nc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H15N5OS/c27-20(13-26-18-7-3-1-5-16(18)24-25-26)22-15-11-9-14(10-12-15)21-23-17-6-2-4-8-19(17)28-21/h1-12H,13H2,(H,22,27)
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n/an/a 10n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50394383
PNG
(CHEMBL2159804)
Show SMILES [O-][N+](=O)c1ccc(CN2CCN(CC2)C(=O)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C18H18N6O3/c25-18(23-17-4-2-1-3-16(17)19-20-23)22-11-9-21(10-12-22)13-14-5-7-15(8-6-14)24(26)27/h1-8H,9-13H2
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n/an/a 12n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50414921
PNG
(CHEMBL570812)
Show SMILES COc1nn(-c2ccc(NC(=O)OCc3ccccc3)c(C)c2)c(=O)o1
Show InChI InChI=1S/C18H17N3O5/c1-12-10-14(21-18(23)26-17(20-21)24-2)8-9-15(12)19-16(22)25-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
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n/an/a 20n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50320491
PNG
(2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE...)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)
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n/an/a 30n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoglyceride lipase


(Homo sapiens (human))
BDBM50394388
PNG
(CHEMBL2159799)
Show SMILES O=C(N1CCN(C\C=C\c2ccccc2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C20H21N5O/c26-20(25-19-11-5-4-10-18(19)21-22-25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
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n/an/a 33n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50049457
PNG
(CHEMBL3318317)
Show SMILES Cc1cc(C)cc(NC(=O)[C@H]2CN(CCc3c[nH]c4ccc(F)cc34)C(=O)C2)c1
Show InChI InChI=1S/C23H24FN3O2/c1-14-7-15(2)9-19(8-14)26-23(29)17-10-22(28)27(13-17)6-5-16-12-25-21-4-3-18(24)11-20(16)21/h3-4,7-9,11-12,17,25H,5-6,10,13H2,1-2H3,(H,26,29)/t17-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178040
PNG
(4-methyl-2-{[(2-methylphenyl)methyl]amino}-1,3-thi...)
Show SMILES Cc1nc(NCc2ccccc2C)sc1C(O)=O
Show InChI InChI=1S/C13H14N2O2S/c1-8-5-3-4-6-10(8)7-14-13-15-9(2)11(18-13)12(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178041
PNG
(2-{[(2,4-dichlorophenyl)methyl]amino}-4-methyl-1,3...)
Show SMILES Cc1nc(NCc2ccc(Cl)cc2Cl)sc1C(O)=O
Show InChI InChI=1S/C12H10Cl2N2O2S/c1-6-10(11(17)18)19-12(16-6)15-5-7-2-3-8(13)4-9(7)14/h2-4H,5H2,1H3,(H,15,16)(H,17,18)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178039
PNG
(2-{[(2-chlorophenyl)methyl]amino}-4-methyl-1,3-thi...)
Show SMILES Cc1nc(NCc2ccccc2Cl)sc1C(O)=O
Show InChI InChI=1S/C12H11ClN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50401472
PNG
(CHEMBL2204564)
Show SMILES COc1ccc(cc1)C(=O)n1nc(C)c2nnc3cc(Cl)c(F)cc3c12
Show InChI InChI=1S/C18H12ClFN4O2/c1-9-16-17(12-7-14(20)13(19)8-15(12)21-22-16)24(23-9)18(25)10-3-5-11(26-2)6-4-10/h3-8H,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using PGG2 as substrate and N,N,N,N-tetramethyl-p-phenylnediamine measured for 25 secs by spectrophotometric ana...


Eur J Med Chem 57: 176-84 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.045
BindingDB Entry DOI: 10.7270/Q2T154TQ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50401473
PNG
(CHEMBL2204556)
Show SMILES Cc1nn(C(=O)c2ccc(C)cc2)c2c1nnc1cc(Cl)c(F)cc21
Show InChI InChI=1S/C18H12ClFN4O/c1-9-3-5-11(6-4-9)18(25)24-17-12-7-14(20)13(19)8-15(12)21-22-16(17)10(2)23-24/h3-8H,1-2H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using PGG2 as substrate and N,N,N,N-tetramethyl-p-phenylnediamine measured for 25 secs by spectrophotometric ana...


Eur J Med Chem 57: 176-84 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.045
BindingDB Entry DOI: 10.7270/Q2T154TQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178043
PNG
(2-{[(2-methoxyphenyl)methyl]amino}-4-methyl-1,3-th...)
Show SMILES COc1ccccc1CNc1nc(C)c(s1)C(O)=O
Show InChI InChI=1S/C13H14N2O3S/c1-8-11(12(16)17)19-13(15-8)14-7-9-5-3-4-6-10(9)18-2/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/a 1.47E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178036
PNG
(2-{[(4-hydroxyphenyl)methyl]amino}-4-methyl-1,3-th...)
Show SMILES Cc1nc(NCc2ccc(O)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H12N2O3S/c1-7-10(11(16)17)18-12(14-7)13-6-8-2-4-9(15)5-3-8/h2-5,15H,6H2,1H3,(H,13,14)(H,16,17)
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n/an/a 2.15E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178033
PNG
(2-{[(4-fluorophenyl)methyl]amino}-4-methyl-1,3-thi...)
Show SMILES Cc1nc(NCc2ccc(F)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H11FN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a 3.03E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178034
PNG
(2-{[(4-bromophenyl)methyl]amino}-4-methyl-1,3-thia...)
Show SMILES Cc1nc(NCc2ccc(Br)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H11BrN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a 4.32E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178044
PNG
(2-{[(3,4-dihydroxyphenyl)methyl]amino}-4-methyl-1,...)
Show SMILES Cc1nc(NCc2ccc(O)c(O)c2)sc1C(O)=O
Show InChI InChI=1S/C12H12N2O4S/c1-6-10(11(17)18)19-12(14-6)13-5-7-2-3-8(15)9(16)4-7/h2-4,15-16H,5H2,1H3,(H,13,14)(H,17,18)
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n/an/a 6.02E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178031
PNG
(2-(Benzylamino)-4-methyl-1,3-thiazole-5-carboxylic...)
Show SMILES Cc1nc(NCc2ccccc2)sc1C(O)=O
Show InChI InChI=1S/C12H12N2O2S/c1-8-10(11(15)16)17-12(14-8)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
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n/an/a 9.81E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178032
PNG
(2-{[(4-chlorophenyl)methyl]amino}-4-methyl-1,3-thi...)
Show SMILES Cc1nc(NCc2ccc(Cl)cc2)sc1C(O)=O
Show InChI InChI=1S/C12H11ClN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178035
PNG
(4-methyl-2-{[(4-methylphenyl)methyl]amino}-1,3-thi...)
Show SMILES Cc1nc(NCc2ccc(C)cc2)sc1C(O)=O
Show InChI InChI=1S/C13H14N2O2S/c1-8-3-5-10(6-4-8)7-14-13-15-9(2)11(18-13)12(16)17/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50049459
PNG
(CHEMBL3318314)
Show SMILES Cc1ccc(cc1C)N1C[C@@H](CC1=O)C(=O)NCc1n[nH]c(=O)c2ccccc12
Show InChI InChI=1S/C22H22N4O3/c1-13-7-8-16(9-14(13)2)26-12-15(10-20(26)27)21(28)23-11-19-17-5-3-4-6-18(17)22(29)25-24-19/h3-9,15H,10-12H2,1-2H3,(H,23,28)(H,25,29)/t15-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50049458
PNG
(CHEMBL3318316)
Show SMILES C[C@H]1CCCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O
Show InChI InChI=1S/C23H29FN4O3/c1-14-4-2-3-5-18(14)26-21(29)9-8-20-22(30)28(23(31)27-20)11-10-15-13-25-19-7-6-16(24)12-17(15)19/h6-7,12-14,18,20,25H,2-5,8-11H2,1H3,(H,26,29)(H,27,31)/t14-,18-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178037
PNG
(2-{[(4-methoxyphenyl)methyl]amino}-4-methyl-1,3-th...)
Show SMILES COc1ccc(CNc2nc(C)c(s2)C(O)=O)cc1
Show InChI InChI=1S/C13H14N2O3S/c1-8-11(12(16)17)19-13(15-8)14-7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178038
PNG
(2-{[(2-bromophenyl)methyl]amino}-4-methyl-1,3-thia...)
Show SMILES Cc1nc(NCc2ccccc2Br)sc1C(O)=O
Show InChI InChI=1S/C12H11BrN2O2S/c1-7-10(11(16)17)18-12(15-7)14-6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50049455
PNG
(CHEMBL3318319)
Show SMILES Fc1ccc(cc1)-c1cnn2c1nnc1c2ccn(NC(=O)COc2ccc3ccccc3c2)c1=O
Show InChI InChI=1S/C26H17FN6O3/c27-19-8-5-17(6-9-19)21-14-28-33-22-11-12-32(26(35)24(22)29-30-25(21)33)31-23(34)15-36-20-10-7-16-3-1-2-4-18(16)13-20/h1-14H,15H2,(H,31,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (human))
BDBM50049454
PNG
(CHEMBL3318320)
Show SMILES Clc1ccccc1COc1ccc(cc1)N1C[C@@H](CC1=O)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C26H23ClN2O5/c27-22-4-2-1-3-18(22)15-32-21-8-6-20(7-9-21)29-14-19(12-25(29)30)26(31)28-13-17-5-10-23-24(11-17)34-16-33-23/h1-11,19H,12-16H2,(H,28,31)/t19-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human MAGL using 4-Nitrophenylacetate substrate incubated for 15 mins


Bioorg Med Chem Lett 24: 3986-96 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.029
BindingDB Entry DOI: 10.7270/Q2XP76J6
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM178042
PNG
(2-{[(2-hydroxyphenyl)methyl]amino}-4-methyl-1,3-th...)
Show SMILES Cc1nc(NCc2ccccc2O)sc1C(O)=O
Show InChI InChI=1S/C12H12N2O3S/c1-7-10(11(16)17)18-12(14-7)13-6-8-4-2-3-5-9(8)15/h2-5,15H,6H2,1H3,(H,13,14)(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Xanthine oxidase (XO) assay of 2-(benzylamino)-4-methyl-1,3-thiazole-5-carboxylic acid derivatives 5a-p was evaluated using Bovine milk XO (grade 1, ...


Chem Biol Drug Des 87: 508-16 (2016)


Article DOI: 10.1111/cbdd.12686
BindingDB Entry DOI: 10.7270/Q24F1PHQ
More data for this
Ligand-Target Pair