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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'alsayari' and Initial = 'a'   
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


(Homo sapiens (Human))
BDBM50540102
PNG
(CHEMBL4637085)
Show SMILES COc1cc(\C=C2/Oc3cc4occc4c(OC)c3C2=O)ccc1OCC(=O)Nc1ccccc1
Show InChI InChI=1S/C27H21NO7/c1-31-21-12-16(8-9-19(21)34-15-24(29)28-17-6-4-3-5-7-17)13-23-26(30)25-22(35-23)14-20-18(10-11-33-20)27(25)32-2/h3-14H,15H2,1-2H3,(H,28,29)/b23-13-
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n/an/a 1.11E+3n/an/an/an/an/an/a



King Khalid University

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 166: 417-431 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 1.14E+3n/an/an/an/an/an/a



King Khalid University

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 166: 417-431 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50205807
PNG
(CHEMBL3978212)
Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(=O)n(O)c1
Show InChI InChI=1S/C14H9NO5/c16-9-2-3-10-11(6-9)20-12(14(10)18)5-8-1-4-13(17)15(19)7-8/h1-7,16,19H/b12-5-
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n/an/a 1.50E+3n/an/an/an/an/an/a



King Khalid University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


Eur J Med Chem 166: 417-431 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Bos taurus)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a 3.07E+5n/an/an/an/an/an/a



King Khalid University

Curated by ChEMBL


Assay Description
Inhibition of calf thymus gland topoisomerase 1 mediated DNA relaxation


Eur J Med Chem 166: 417-431 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Bos taurus)
BDBM50410161
PNG
(CHEMBL191804)
Show SMILES O=C1Oc2ccccc2\C1=C/c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-15-13(10-11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H/b13-10+
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n/an/a 3.07E+5n/an/an/an/an/an/a



King Khalid University

Curated by ChEMBL


Assay Description
Inhibition of calf thymus gland topoisomerase 1 mediated DNA relaxation


Eur J Med Chem 166: 417-431 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50540103
PNG
(4,6,3'',4''-Tetramethoxyaurone | 4,6,3',4'-TETRAME...)
Show SMILES COc1cc2O\C(=C/c3ccc(OC)c(OC)c3)C(=O)c2c(OC)c1
Show InChI InChI=1S/C19H18O6/c1-21-12-9-15(24-4)18-16(10-12)25-17(19(18)20)8-11-5-6-13(22-2)14(7-11)23-3/h5-10H,1-4H3/b17-8-
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n/an/an/an/a 910n/an/an/an/a



King Khalid University

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin)


Eur J Med Chem 166: 417-431 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.078
BindingDB Entry DOI: 10.7270/Q2ZW1QF5
More data for this
Ligand-Target Pair