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BDBM50428741 CHEMBL2333602

SMILES: CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12

InChI Key: InChIKey=XZIADLYCTOCKRV-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50428741   
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 Yes


(Homo sapiens (Human))
BDBM50428741
PNG
(CHEMBL2333602)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H25N7O2/c1-4-5-11-32-21(14-33-22-23(28-25(32)33)31(3)26(35)29-24(22)34)18-12-16(10-9-15(18)2)17-7-6-8-20-19(17)13-27-30-20/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,30)(H,29,34,35)
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n/an/a 160n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Yes1 (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50428741
PNG
(CHEMBL2333602)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H25N7O2/c1-4-5-11-32-21(14-33-22-23(28-25(32)33)31(3)26(35)29-24(22)34)18-12-16(10-9-15(18)2)17-7-6-8-20-19(17)13-27-30-20/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,30)(H,29,34,35)
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Article
PubMed
n/an/a 264n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50428741
PNG
(CHEMBL2333602)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H25N7O2/c1-4-5-11-32-21(14-33-22-23(28-25(32)33)31(3)26(35)29-24(22)34)18-12-16(10-9-15(18)2)17-7-6-8-20-19(17)13-27-30-20/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,30)(H,29,34,35)
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n/an/a 46n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50428741
PNG
(CHEMBL2333602)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H25N7O2/c1-4-5-11-32-21(14-33-22-23(28-25(32)33)31(3)26(35)29-24(22)34)18-12-16(10-9-15(18)2)17-7-6-8-20-19(17)13-27-30-20/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,30)(H,29,34,35)
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n/an/a 150n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of human myc-tagged full length EphB4 expressed in MEF cells assessed as inhibition of ephrinB2-Fc-induced autophosphorylation incubated f...


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50428741
PNG
(CHEMBL2333602)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H25N7O2/c1-4-5-11-32-21(14-33-22-23(28-25(32)33)31(3)26(35)29-24(22)34)18-12-16(10-9-15(18)2)17-7-6-8-20-19(17)13-27-30-20/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,30)(H,29,34,35)
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) transfected in CHO cells using Z'-LYTE TYR-1 peptide as substrate after 2 hrs by FRET assay


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50428741
PNG
(CHEMBL2333602)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H25N7O2/c1-4-5-11-32-21(14-33-22-23(28-25(32)33)31(3)26(35)29-24(22)34)18-12-16(10-9-15(18)2)17-7-6-8-20-19(17)13-27-30-20/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,30)(H,29,34,35)
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Article
PubMed
n/an/a 133n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) transfected in CHO cells using [gamma-33P]ATP by radiometric assay


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50428741
PNG
(CHEMBL2333602)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H25N7O2/c1-4-5-11-32-21(14-33-22-23(28-25(32)33)31(3)26(35)29-24(22)34)18-12-16(10-9-15(18)2)17-7-6-8-20-19(17)13-27-30-20/h6-10,12-14H,4-5,11H2,1-3H3,(H,27,30)(H,29,34,35)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 203n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin) using [gamma-33P]ATP after 30 mins by radiometric assay


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair