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PubMed code 27391135

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50202376
PNG
(CHEMBL3919012)
Show SMILES OC[C@@H]1CCCN1CCCCNC(=O)c1cc2NC\C(=N/NC(=O)Cc3ccc4OCCc4c3)c2c(Br)c1
Show InChI InChI=1S/C28H34BrN5O4/c29-22-14-20(28(37)30-8-1-2-9-34-10-3-4-21(34)17-35)15-23-27(22)24(16-31-23)32-33-26(36)13-18-5-6-25-19(12-18)7-11-38-25/h5-6,12,14-15,21,31,35H,1-4,7-11,13,16-17H2,(H,30,37)(H,33,36)/b32-24+/t21-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic aci...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50202438
PNG
(CHEMBL3950207)
Show SMILES Brc1cc(cc2NC\C(=N/NC(=O)Cc3ccc4OCCc4c3)c12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C25H28BrN5O4/c26-19-13-18(25(33)27-4-5-31-6-9-34-10-7-31)14-20-24(19)21(15-28-20)29-30-23(32)12-16-1-2-22-17(11-16)3-8-35-22/h1-2,11,13-14,28H,3-10,12,15H2,(H,27,33)(H,30,32)/b29-21+
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n/an/a 0.700n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic aci...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50202439
PNG
(CHEMBL3889870)
Show SMILES O[C@H]1CCN(CCCCNC(=O)c2cc3NC\C(=N/NC(=O)Cc4ccc5OCCc5c4)c3c(Br)c2)C1
Show InChI InChI=1S/C27H32BrN5O4/c28-21-13-19(27(36)29-7-1-2-8-33-9-5-20(34)16-33)14-22-26(21)23(15-30-22)31-32-25(35)12-17-3-4-24-18(11-17)6-10-37-24/h3-4,11,13-14,20,30,34H,1-2,5-10,12,15-16H2,(H,29,36)(H,32,35)/b31-23+/t20-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic aci...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50202329
PNG
(GW305178X)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncccc4c23)cc1
Show InChI InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)
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n/an/a 1.60n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50202434
PNG
(GW276655X)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1
Show InChI InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)
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n/an/a 2.30n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50202433
PNG
(CHEMBL411426)
Show SMILES CC(C)c1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C17H18N4O3S/c1-10(2)13-4-3-5-14-15(13)16(17(22)19-14)21-20-11-6-8-12(9-7-11)25(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)
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n/an/a 2.5n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50202432
PNG
(CHEMBL410883)
Show SMILES NC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H13N5O4S/c16-14(21)8-1-6-12-11(7-8)13(15(22)18-12)20-19-9-2-4-10(5-3-9)25(17,23)24/h1-7,19H,(H2,16,21)(H2,17,23,24)(H,18,20,22)
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n/an/a 2.80n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50202321
PNG
(CHEMBL271160)
Show SMILES CC(C)Oc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C17H18N4O4S/c1-10(2)25-14-5-3-4-13-15(14)16(17(22)19-13)21-20-11-6-8-12(9-7-11)26(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)
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n/an/a 3.40n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50202432
PNG
(CHEMBL410883)
Show SMILES NC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H13N5O4S/c16-14(21)8-1-6-12-11(7-8)13(15(22)18-12)20-19-9-2-4-10(5-3-9)25(17,23)24/h1-7,19H,(H2,16,21)(H2,17,23,24)(H,18,20,22)
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n/an/a 4.5n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50202378
PNG
(CHEMBL407709)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncsc4c23)cc1
Show InChI InChI=1S/C15H11N5O3S2/c16-25(22,23)9-3-1-8(2-4-9)19-20-13-12-10(18-15(13)21)5-6-11-14(12)24-7-17-11/h1-7,19H,(H2,16,22,23)(H,18,20,21)
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n/an/a 7.10n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50202435
PNG
(CHEMBL3969990)
Show SMILES Oc1ccc(CC(=O)N\N=C2/C(=O)Nc3c2c(Cl)ccc3Cl)cc1F
Show InChI InChI=1S/C16H10Cl2FN3O3/c17-8-2-3-9(18)14-13(8)15(16(25)20-14)22-21-12(24)6-7-1-4-11(23)10(19)5-7/h1-5,23H,6H2,(H,21,24)(H,20,22,25)
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n/an/a 9n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic aci...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50202436
PNG
(CHEMBL3982132)
Show SMILES Oc1ccc(CC(=O)N\N=C2/C(=O)Nc3c2c(Cl)ccc3Cl)cc1Cl
Show InChI InChI=1S/C16H10Cl3N3O3/c17-8-2-3-9(18)14-13(8)15(16(25)20-14)22-21-12(24)6-7-1-4-11(23)10(19)5-7/h1-5,23H,6H2,(H,21,24)(H,20,22,25)
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n/an/a 9n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic aci...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50202434
PNG
(GW276655X)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1
Show InChI InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)
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n/an/a 10n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50202329
PNG
(GW305178X)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncccc4c23)cc1
Show InChI InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)
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n/an/a 12n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50202289
PNG
(CHEMBL272389)
Show SMILES CS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H14N4O5S2/c1-25(21,22)11-6-7-13-12(8-11)14(15(20)17-13)19-18-9-2-4-10(5-3-9)26(16,23)24/h2-8,18H,1H3,(H2,16,23,24)(H,17,19,20)
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n/an/a 16n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50202433
PNG
(CHEMBL411426)
Show SMILES CC(C)c1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C17H18N4O3S/c1-10(2)13-4-3-5-14-15(13)16(17(22)19-14)21-20-11-6-8-12(9-7-11)25(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)
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n/an/a 37n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50202321
PNG
(CHEMBL271160)
Show SMILES CC(C)Oc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12
Show InChI InChI=1S/C17H18N4O4S/c1-10(2)25-14-5-3-4-13-15(14)16(17(22)19-13)21-20-11-6-8-12(9-7-11)26(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)
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n/an/a 41n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50202378
PNG
(CHEMBL407709)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncsc4c23)cc1
Show InChI InChI=1S/C15H11N5O3S2/c16-25(22,23)9-3-1-8(2-4-9)19-20-13-12-10(18-15(13)21)5-6-11-14(12)24-7-17-11/h1-7,19H,(H2,16,22,23)(H,18,20,21)
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n/an/a 43n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50202312
PNG
(CHEMBL272387)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H13N5O5S2/c15-25(21,22)9-3-1-8(2-4-9)18-19-13-11-7-10(26(16,23)24)5-6-12(11)17-14(13)20/h1-7,18H,(H2,15,21,22)(H2,16,23,24)(H,17,19,20)
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n/an/a 43n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclinA expressed in Baculovirus infected T.ni cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50202299
PNG
(CHEMBL411491)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C14H11BrN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
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n/an/a 60n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50202312
PNG
(CHEMBL272387)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H13N5O5S2/c15-25(21,22)9-3-1-8(2-4-9)18-19-13-11-7-10(26(16,23)24)5-6-12(11)17-14(13)20/h1-7,18H,(H2,15,21,22)(H2,16,23,24)(H,17,19,20)
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n/an/a 170n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50202289
PNG
(CHEMBL272389)
Show SMILES CS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C15H14N4O5S2/c1-25(21,22)11-6-7-13-12(8-11)14(15(20)17-13)19-18-9-2-4-10(5-3-9)26(16,23)24/h2-8,18H,1H3,(H2,16,23,24)(H,17,19,20)
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n/an/a 350n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM50202437
PNG
(CHEMBL502013)
Show SMILES OC(=O)c1cccc(N\N=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H17FN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Shp2 PTP domain (unknown origin) using DiFMUP as substrate measured after 5 to 10 mins by fluorescence analysis


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (human))
BDBM152151
PNG
(US8987474, HL1-056 (NSC-117199) )
Show SMILES OS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccccc3[N+]([O-])=O)c2c1
Show InChI InChI=1S/C14H10N4O6S/c19-14-13(17-16-11-3-1-2-4-12(11)18(20)21)9-7-8(25(22,23)24)5-6-10(9)15-14/h1-7,16H,(H,15,17,19)(H,22,23,24)
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n/an/a 4.99E+3n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged Shp2 (205 to 593 residues) expressed Escherichia coli DH5alpha assessed as inhibition of PTP activity using DiFMUP as ...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50351710
PNG
(CHEMBL1822572)
Show SMILES COc1ccc(CC(=O)NN=C2C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-8-6-11(7-9-12)10-15(21)19-20-16-13-4-2-3-5-14(13)18-17(16)22/h2-9H,10H2,1H3,(H,19,21)(H,18,20,22)
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n/an/a 7.63E+3n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic aci...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50202377
PNG
(CHEMBL3978908)
Show SMILES Cc1cc2\C(=N\NC(=O)c3ccccc3O)C(=O)Nc2cc1Br
Show InChI InChI=1S/C16H12BrN3O3/c1-8-6-10-12(7-11(8)17)18-16(23)14(10)19-20-15(22)9-4-2-3-5-13(9)21/h2-7,21H,1H3,(H,20,22)(H,18,19,23)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GSK-3beta (unknown origin) assessed as inhibition of phosphorylation using Ser/Thr 9 peptide as substrate by FRET-based Z-LYTE assay


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50202375
PNG
(CHEMBL3918939)
Show SMILES CSc1ccc(CC(=O)N\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O2S/c1-23-12-8-6-11(7-9-12)10-15(21)19-20-16-13-4-2-3-5-14(13)18-17(16)22/h2-9H,10H2,1H3,(H,19,21)(H,18,20,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic aci...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50202306
PNG
(CHEMBL3912187)
Show SMILES CS(=O)(=O)c1ccc(CC(=O)N\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C17H15N3O4S/c1-25(23,24)12-8-6-11(7-9-12)10-15(21)19-20-16-13-4-2-3-5-14(13)18-17(16)22/h2-9H,10H2,1H3,(H,19,21)(H,18,20,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Met (unknown origin) assessed as phosphotyrosine levels preincubated foe 15 mins followed by addition of poly(glutamic aci...


Eur J Med Chem 122: 366-381 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.034
BindingDB Entry DOI: 10.7270/Q2154K1N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%