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BDBM50428743 CHEMBL2333603

SMILES: CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C

InChI Key: InChIKey=KCEWOOVCWCPFCY-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50428743   
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))
BDBM50428743
PNG
(CHEMBL2333603)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
Show InChI InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)
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Article
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n/an/a 284n/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))
BDBM50428743
PNG
(CHEMBL2333603)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
Show InChI InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)
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Article
PubMed
n/an/a 493n/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))
BDBM50428743
PNG
(CHEMBL2333603)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
Show InChI InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)
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Article
PubMed
n/an/a 71n/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))
BDBM50428743
PNG
(CHEMBL2333603)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
Show InChI InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)
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n/an/a 50n/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))
BDBM50428743
PNG
(CHEMBL2333603)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
Show InChI InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)
PDB
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Article
PubMed
n/an/a 56n/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))
BDBM50428743
PNG
(CHEMBL2333603)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
Show InChI InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)
PDB
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PC sid
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Article
PubMed
n/an/a 82n/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))
BDBM50428743
PNG
(CHEMBL2333603)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
Show InChI InChI=1S/C19H21N5O2/c1-4-5-10-23-14(13-9-7-6-8-12(13)2)11-24-15-16(20-18(23)24)22(3)19(26)21-17(15)25/h6-9,11H,4-5,10H2,1-3H3,(H,21,25,26)
PDB
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Reactome pathway
KEGG

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PC sid
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UniChem

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Article
PubMed
n/an/a 578n/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