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Compile Data Set for Download or QSAR

Found 57 hits from Centre Universitaire   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 2.90n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of MER (unknown origin)


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 5n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50322830
PNG
(CHEMBL1210175 | N,8-diphenyl-9H-purin-6-amine)
Show SMILES N(c1ccccc1)c1ncnc2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C17H13N5/c1-3-7-12(8-4-1)15-21-14-16(18-11-19-17(14)22-15)20-13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50322829
PNG
(3-(6-(phenylamino)-9H-purin-8-yl)benzonitrile | CH...)
Show SMILES N#Cc1cccc(c1)-c1nc2ncnc(Nc3ccccc3)c2[nH]1
Show InChI InChI=1S/C18H12N6/c19-10-12-5-4-6-13(9-12)16-23-15-17(20-11-21-18(15)24-16)22-14-7-2-1-3-8-14/h1-9,11H,(H2,20,21,22,23,24)
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n/an/a 26n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50431281
PNG
(CHEMBL2347987)
Show SMILES CC(C)S(=O)c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl
Show InChI InChI=1S/C25H31ClN6OS/c1-18(2)34(33)23-7-5-4-6-22(23)29-24-21(26)16-27-25(30-24)28-20-10-8-19(9-11-20)17-32-14-12-31(3)13-15-32/h4-11,16,18H,12-15,17H2,1-3H3,(H2,27,28,29,30)
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n/an/a 27n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin) phosphorylation expressed in mouse NIH/3T3 cells after 2 hrs by immunoprecipitation assay


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 35.0n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 36.3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK2


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 37n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of AXL (unknown origin)


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50384576
PNG
(CHEMBL2036808)
Show SMILES CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H29FN6/c1-2-3-12-25-22-26-13-19-20(16-6-8-17(23)9-7-16)28-29(21(19)27-22)14-15-4-10-18(24)11-5-15/h6-9,13,15,18H,2-5,10-12,14,24H2,1H3,(H,25,26,27)/t15-,18-
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n/an/a 48n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of TYRO3 (unknown origin)


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 49.0n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of TYRO3/SKY


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 102n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50322826
PNG
(CHEMBL1210406 | N-(8-(naphthalen-2-yl)-9H-purin-6-...)
Show SMILES O=C(Nc1ncnc2nc([nH]c12)-c1ccc2ccccc2c1)C1CC1
Show InChI InChI=1S/C19H15N5O/c25-19(12-6-7-12)24-18-15-17(20-10-21-18)23-16(22-15)14-8-5-11-3-1-2-4-13(11)9-14/h1-5,8-10,12H,6-7H2,(H2,20,21,22,23,24,25)
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n/an/a 169n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50322828
PNG
(CHEMBL1210310 | N-(8-(3-chlorophenyl)-9H-purin-6-y...)
Show SMILES Clc1cccc(c1)-c1nc2ncnc(NC(=O)C3CC3)c2[nH]1
Show InChI InChI=1S/C15H12ClN5O/c16-10-3-1-2-9(6-10)12-19-11-13(20-12)17-7-18-14(11)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H2,17,18,19,20,21,22)
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n/an/a 365n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50322827
PNG
(CHEMBL1210405 | N-(8-(3-cyanophenyl)-9H-purin-6-yl...)
Show SMILES O=C(Nc1ncnc2nc([nH]c12)-c1cccc(c1)C#N)C1CC1
Show InChI InChI=1S/C16H12N6O/c17-7-9-2-1-3-11(6-9)13-20-12-14(21-13)18-8-19-15(12)22-16(23)10-4-5-10/h1-3,6,8,10H,4-5H2,(H2,18,19,20,21,22,23)
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n/an/a 781n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197305
PNG
(CHEMBL225096 | N-[6-(4-chloro-benzylamino)-9-isopr...)
Show SMILES CC(C)C(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H23ClN6O/c1-11(2)18(27)25-19-23-16(21-9-13-5-7-14(20)8-6-13)15-17(24-19)26(10-22-15)12(3)4/h5-8,10-12H,9H2,1-4H3,(H2,21,23,24,25,27)
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n/an/a 900n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50322825
PNG
(CHEMBL1210476 | N-(8-(3-cyanophenyl)-9H-purin-6-yl...)
Show SMILES CCCCC(=O)Nc1ncnc2nc([nH]c12)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H16N6O/c1-2-3-7-13(24)21-16-14-17(20-10-19-16)23-15(22-14)12-6-4-5-11(8-12)9-18/h4-6,8,10H,2-3,7H2,1H3,(H2,19,20,21,22,23,24)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197317
PNG
(CHEMBL225043 | N-[9-isopropyl-6-(4-methoxy-benzyla...)
Show SMILES COc1ccc(CNc2nc(NC(=O)C(C)C)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C20H26N6O2/c1-12(2)19(27)25-20-23-17(16-18(24-20)26(11-22-16)13(3)4)21-10-14-6-8-15(28-5)9-7-14/h6-9,11-13H,10H2,1-5H3,(H2,21,23,24,25,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197312
PNG
(CHEMBL425121 | N-[6-(4-chloro-benzylamino)-9-isopr...)
Show SMILES CC(C)CC(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H25ClN6O/c1-12(2)9-16(28)24-20-25-18(22-10-14-5-7-15(21)8-6-14)17-19(26-20)27(11-23-17)13(3)4/h5-8,11-13H,9-10H2,1-4H3,(H2,22,24,25,26,28)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197316
PNG
(CHEMBL224257 | N-[9-isopropyl-6-(4-methoxy-benzyla...)
Show SMILES COc1ccc(CNc2nc(NC(=O)CC(C)=O)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C20H24N6O3/c1-12(2)26-11-22-17-18(21-10-14-5-7-15(29-4)8-6-14)24-20(25-19(17)26)23-16(28)9-13(3)27/h5-8,11-12H,9-10H2,1-4H3,(H2,21,23,24,25,28)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197319
PNG
(CHEMBL225002 | N-[9-isopropyl-6-(4-methoxy-benzyla...)
Show SMILES COc1ccc(CNc2nc(NC(=O)CC(C)C)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C21H28N6O2/c1-13(2)10-17(28)24-21-25-19(18-20(26-21)27(12-23-18)14(3)4)22-11-15-6-8-16(29-5)9-7-15/h6-9,12-14H,10-11H2,1-5H3,(H2,22,24,25,26,28)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197308
PNG
(6-(4-chloro-benzylamino)-9-isopropyl-9H-purine-2-c...)
Show SMILES CC(C)NC(=O)c1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H23ClN6O/c1-11(2)23-19(27)17-24-16(21-9-13-5-7-14(20)8-6-13)15-18(25-17)26(10-22-15)12(3)4/h5-8,10-12H,9H2,1-4H3,(H,23,27)(H,21,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197307
PNG
(9-isopropyl-6-(4-methoxy-benzylamino)-9H-purine-2-...)
Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C(=O)NCC(C)C)cc1
Show InChI InChI=1S/C21H28N6O2/c1-13(2)10-23-21(28)19-25-18(17-20(26-19)27(12-24-17)14(3)4)22-11-15-6-8-16(29-5)9-7-15/h6-9,12-14H,10-11H2,1-5H3,(H,23,28)(H,22,25,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197322
PNG
(CHEMBL225645 | N-[6-(4-chlorobenzylamino)-9-isopro...)
Show SMILES CCCC(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H23ClN6O/c1-4-5-15(27)23-19-24-17(21-10-13-6-8-14(20)9-7-13)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-12H,4-5,10H2,1-3H3,(H2,21,23,24,25,27)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197318
PNG
(9-isopropyl-6-(4-methoxy-benzylamino)-9H-purine-2-...)
Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C(=O)NC(C)C)cc1
Show InChI InChI=1S/C20H26N6O2/c1-12(2)23-20(27)18-24-17(16-19(25-18)26(11-22-16)13(3)4)21-10-14-6-8-15(28-5)9-7-14/h6-9,11-13H,10H2,1-5H3,(H,23,27)(H,21,24,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 3.18E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197321
PNG
(CHEMBL225055 | N-[9-isopropyl-6-(4-methoxy-benzyla...)
Show SMILES COc1ccc(CNc2nc(NC(=O)c3ccc(OC)cc3)nc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C24H26N6O3/c1-15(2)30-14-26-20-21(25-13-16-5-9-18(32-3)10-6-16)27-24(28-22(20)30)29-23(31)17-7-11-19(33-4)12-8-17/h5-12,14-15H,13H2,1-4H3,(H2,25,27,28,29,31)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Casein Kinase II


(Homo sapiens (human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 3.62E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of CK2alpha


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197310
PNG
(CHEMBL389447 | N-[9-isopropyl-6-(4-methoxy-benzyla...)
Show SMILES CCCC(=O)Nc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H26N6O2/c1-5-6-16(27)23-20-24-18(17-19(25-20)26(12-22-17)13(2)3)21-11-14-7-9-15(28-4)10-8-14/h7-10,12-13H,5-6,11H2,1-4H3,(H2,21,23,24,25,27)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 4.19E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of CK1alpha1


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[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 5.09E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197314
PNG
(CHEMBL224694 | N-[9-isopropyl-6-(methoxy-ethylamin...)
Show SMILES COCCNc1nc(NC(=O)CC(C)C)nc2n(cnc12)C(C)C
Show InChI InChI=1S/C16H26N6O2/c1-10(2)8-12(23)19-16-20-14(17-6-7-24-5)13-15(21-16)22(9-18-13)11(3)4/h9-11H,6-8H2,1-5H3,(H2,17,19,20,21,23)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197311
PNG
(CHEMBL224386 | N-[9-isopropyl-6-(methoxy-ethylamin...)
Show SMILES COCCNc1nc(NC(=O)C(C)C)nc2n(cnc12)C(C)C
Show InChI InChI=1S/C15H24N6O2/c1-9(2)14(22)20-15-18-12(16-6-7-23-5)11-13(19-15)21(8-17-11)10(3)4/h8-10H,6-7H2,1-5H3,(H2,16,18,19,20,22)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197315
PNG
(CHEMBL225056 | N-[9-isopropyl-6-(methoxy-ethylamin...)
Show SMILES CCCC(=O)Nc1nc(NCCOC)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C15H24N6O2/c1-5-6-11(22)18-15-19-13(16-7-8-23-4)12-14(20-15)21(9-17-12)10(2)3/h9-10H,5-8H2,1-4H3,(H2,16,18,19,20,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50113707
PNG
(2,6,9-Trisubstitute purine, 2 | 2-(2-hydroxyethyla...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of MER (588 to 855) (unknown origin) by fluorescence assay


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197309
PNG
(9-isopropyl-6-(2-methoxy-ethylamino)-9H-purine-2-c...)
Show SMILES COCCNc1nc(nc2n(cnc12)C(C)C)C(=O)NC(C)C
Show InChI InChI=1S/C15H24N6O2/c1-9(2)18-15(22)13-19-12(16-6-7-23-5)11-14(20-13)21(8-17-11)10(3)4/h8-10H,6-7H2,1-5H3,(H,18,22)(H,16,19,20)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197306
PNG
(9-isopropyl-6-(2-methoxy-ethylamino)-9H-purine-2-c...)
Show SMILES COCCNc1nc(nc2n(cnc12)C(C)C)C(=O)NCC(C)C
Show InChI InChI=1S/C16H26N6O2/c1-10(2)8-18-16(23)14-20-13(17-6-7-24-5)12-15(21-14)22(9-19-12)11(3)4/h9-11H,6-8H2,1-5H3,(H,18,23)(H,17,20,21)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50197320
PNG
(CHEMBL224927 | N-[6-(4-chloro-benzylamino)-9-isopr...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C23H23ClN6O2/c1-14(2)30-13-26-19-20(25-12-15-4-8-17(24)9-5-15)27-23(28-21(19)30)29-22(31)16-6-10-18(32-3)11-7-16/h4-11,13-14H,12H2,1-3H3,(H2,25,27,28,29,31)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian CDK5/p25 expressed in Escherichia coli


Bioorg Med Chem 15: 130-41 (2006)


Article DOI: 10.1016/j.bmc.2006.10.003
BindingDB Entry DOI: 10.7270/Q2R78DV2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50322824
PNG
(CHEMBL1210477 | N-(8-(naphthalen-2-yl)-9H-purin-6-...)
Show SMILES CCCCC(=O)Nc1ncnc2nc([nH]c12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H19N5O/c1-2-3-8-16(26)23-19-17-20(22-12-21-19)25-18(24-17)15-10-9-13-6-4-5-7-14(13)11-15/h4-7,9-12H,2-3,8H2,1H3,(H2,21,22,23,24,25,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta


Eur J Med Chem 45: 3389-93 (2010)


Article DOI: 10.1016/j.ejmech.2010.04.026
BindingDB Entry DOI: 10.7270/Q2TH8MWC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50431279
PNG
(CHEMBL2346680)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 4.00E+4n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to phosphorylated ABL1 (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50431279
PNG
(CHEMBL2346680)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 39n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to AXL (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
AXL receptor tyrosine kinase


(Homo sapiens (Human))
BDBM50431278
PNG
(CHEMBL2348264)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccc(cc3)C(F)(F)F)c2=O)ccc1Oc1ncnc2nc[nH]c12
Show InChI InChI=1S/C24H14F4N6O3/c25-17-10-14(5-8-18(17)37-22-19-20(30-11-29-19)31-12-32-22)33-21(35)16-2-1-9-34(23(16)36)15-6-3-13(4-7-15)24(26,27)28/h1-12H,(H,33,35)(H,29,30,31,32)
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n/an/an/a 170n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to AXL (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50431280
PNG
(CHEMBL2348263)
Show SMILES Fc1cccc(c1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-1-4-15(9-13)31-8-2-5-16(23(31)33)21(32)30-14-6-7-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 190n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MER (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50431279
PNG
(CHEMBL2346680)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 42n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MER (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens)
BDBM50431278
PNG
(CHEMBL2348264)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccc(cc3)C(F)(F)F)c2=O)ccc1Oc1ncnc2nc[nH]c12
Show InChI InChI=1S/C24H14F4N6O3/c25-17-10-14(5-8-18(17)37-22-19-20(30-11-29-19)31-12-32-22)33-21(35)16-2-1-9-34(23(16)36)15-6-3-13(4-7-15)24(26,27)28/h1-12H,(H,33,35)(H,29,30,31,32)
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n/an/an/a 260n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MER (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50431280
PNG
(CHEMBL2348263)
Show SMILES Fc1cccc(c1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-1-4-15(9-13)31-8-2-5-16(23(31)33)21(32)30-14-6-7-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 440n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MET (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50431279
PNG
(CHEMBL2346680)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 65n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MET (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50431278
PNG
(CHEMBL2348264)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccc(cc3)C(F)(F)F)c2=O)ccc1Oc1ncnc2nc[nH]c12
Show InChI InChI=1S/C24H14F4N6O3/c25-17-10-14(5-8-18(17)37-22-19-20(30-11-29-19)31-12-32-22)33-21(35)16-2-1-9-34(23(16)36)15-6-3-13(4-7-15)24(26,27)28/h1-12H,(H,33,35)(H,29,30,31,32)
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n/an/an/a 150n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to MET (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50431280
PNG
(CHEMBL2348263)
Show SMILES Fc1cccc(c1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-1-4-15(9-13)31-8-2-5-16(23(31)33)21(32)30-14-6-7-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 900n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to TYRO3 (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50431279
PNG
(CHEMBL2346680)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ncnc4nc[nH]c34)c(F)c2)c1=O
Show InChI InChI=1S/C23H14F2N6O3/c24-13-3-6-15(7-4-13)31-9-1-2-16(23(31)33)21(32)30-14-5-8-18(17(25)10-14)34-22-19-20(27-11-26-19)28-12-29-22/h1-12H,(H,30,32)(H,26,27,28,29)
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n/an/an/a 200n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to TYRO3 (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50431278
PNG
(CHEMBL2348264)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccc(cc3)C(F)(F)F)c2=O)ccc1Oc1ncnc2nc[nH]c12
Show InChI InChI=1S/C24H14F4N6O3/c25-17-10-14(5-8-18(17)37-22-19-20(30-11-29-19)31-12-32-22)33-21(35)16-2-1-9-34(23(16)36)15-6-3-13(4-7-15)24(26,27)28/h1-12H,(H,33,35)(H,29,30,31,32)
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n/an/an/a 2.90E+3n/an/an/an/an/a



Centre Universitaire

Curated by ChEMBL


Assay Description
Binding affinity to TYRO3 (unknown origin) after 1 hr


Eur J Med Chem 61: 2-25 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.005
BindingDB Entry DOI: 10.7270/Q2V40WJP
More data for this
Ligand-Target Pair
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