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SMILES: CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1

InChI Key: InChIKey=QPSCCNWGOLMGKW-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50320207   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50320207
PNG
(CHEMBL1085512 | phenyl4-(7-amino-3-(4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1
Show InChI InChI=1S/C30H29N7O2/c1-35-15-17-36(18-16-35)24-13-9-22(10-14-24)27-20-33-37-28(31)26(19-32-29(27)37)21-7-11-23(12-8-21)34-30(38)39-25-5-3-2-4-6-25/h2-14,19-20H,15-18,31H2,1H3,(H,34,38)
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n/an/a 14n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50320207
PNG
(CHEMBL1085512 | phenyl4-(7-amino-3-(4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1
Show InChI InChI=1S/C30H29N7O2/c1-35-15-17-36(18-16-35)24-13-9-22(10-14-24)27-20-33-37-28(31)26(19-32-29(27)37)21-7-11-23(12-8-21)34-30(38)39-25-5-3-2-4-6-25/h2-14,19-20H,15-18,31H2,1H3,(H,34,38)
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n/an/a 37n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of LCK in human Jurkat cells assessed as ZAP70 phosphorylation by FACS assay


Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50320207
PNG
(CHEMBL1085512 | phenyl4-(7-amino-3-(4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1
Show InChI InChI=1S/C30H29N7O2/c1-35-15-17-36(18-16-35)24-13-9-22(10-14-24)27-20-33-37-28(31)26(19-32-29(27)37)21-7-11-23(12-8-21)34-30(38)39-25-5-3-2-4-6-25/h2-14,19-20H,15-18,31H2,1H3,(H,34,38)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50320207
PNG
(CHEMBL1085512 | phenyl4-(7-amino-3-(4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1
Show InChI InChI=1S/C30H29N7O2/c1-35-15-17-36(18-16-35)24-13-9-22(10-14-24)27-20-33-37-28(31)26(19-32-29(27)37)21-7-11-23(12-8-21)34-30(38)39-25-5-3-2-4-6-25/h2-14,19-20H,15-18,31H2,1H3,(H,34,38)
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n/an/a 88n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of HCK


Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50320207
PNG
(CHEMBL1085512 | phenyl4-(7-amino-3-(4-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnn2c(N)c(cnc12)-c1ccc(NC(=O)Oc2ccccc2)cc1
Show InChI InChI=1S/C30H29N7O2/c1-35-15-17-36(18-16-35)24-13-9-22(10-14-24)27-20-33-37-28(31)26(19-32-29(27)37)21-7-11-23(12-8-21)34-30(38)39-25-5-3-2-4-6-25/h2-14,19-20H,15-18,31H2,1H3,(H,34,38)
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PubMed
n/an/a 394n/an/an/an/an/an/a



Novartis Institute of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 20: 3628-31 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.112
BindingDB Entry DOI: 10.7270/Q2XP754D
More data for this
Ligand-Target Pair