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BDBM50374621 CHEMBL260956

SMILES: COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCN(C)CC1

InChI Key: InChIKey=SEBJMEOEEFXHFF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50374621   
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))
BDBM50374621
PNG
(CHEMBL260956)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCN(C)CC1 |(-2.05,-47.19,;-3.39,-47.96,;-3.39,-49.5,;-2.06,-50.27,;-2.07,-51.81,;-.74,-52.59,;.59,-51.82,;.6,-50.27,;1.92,-49.5,;3.26,-50.27,;3.26,-51.81,;1.92,-52.59,;4.6,-52.58,;4.92,-54.08,;4.01,-55.32,;4.62,-56.73,;6.16,-56.89,;7.06,-55.66,;6.44,-54.26,;7.08,-52.85,;5.93,-51.82,;5.94,-50.27,;7.27,-49.5,;7.27,-47.97,;5.93,-47.2,;8.59,-47.2,;9.94,-47.97,;9.93,-49.51,;8.6,-50.28,;8.59,-51.82,;4.59,-49.49,;4.59,-47.95,;-3.39,-52.58,;-4.73,-51.82,;-6.06,-52.59,;-7.39,-51.82,;-4.73,-50.27,;-6.06,-49.5,;-7.4,-50.27,;-8.73,-49.5,;-8.74,-47.96,;-7.41,-47.18,;-7.42,-45.65,;-8.75,-44.88,;-8.76,-43.34,;-10.08,-45.66,;-10.07,-47.2,)|
Show InChI InChI=1S/C35H38N8O4/c1-22-9-8-10-23(2)30(22)43-33(44)25-21-36-34(39-32(25)42-27-12-7-6-11-26(27)38-35(42)43)37-24-19-28(45-4)31(29(20-24)46-5)47-18-17-41-15-13-40(3)14-16-41/h6-12,19-21H,13-18H2,1-5H3,(H,36,37,39)
PDB

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PC sid
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PubMed
n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50374621
PNG
(CHEMBL260956)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCN(C)CC1 |(-2.05,-47.19,;-3.39,-47.96,;-3.39,-49.5,;-2.06,-50.27,;-2.07,-51.81,;-.74,-52.59,;.59,-51.82,;.6,-50.27,;1.92,-49.5,;3.26,-50.27,;3.26,-51.81,;1.92,-52.59,;4.6,-52.58,;4.92,-54.08,;4.01,-55.32,;4.62,-56.73,;6.16,-56.89,;7.06,-55.66,;6.44,-54.26,;7.08,-52.85,;5.93,-51.82,;5.94,-50.27,;7.27,-49.5,;7.27,-47.97,;5.93,-47.2,;8.59,-47.2,;9.94,-47.97,;9.93,-49.51,;8.6,-50.28,;8.59,-51.82,;4.59,-49.49,;4.59,-47.95,;-3.39,-52.58,;-4.73,-51.82,;-6.06,-52.59,;-7.39,-51.82,;-4.73,-50.27,;-6.06,-49.5,;-7.4,-50.27,;-8.73,-49.5,;-8.74,-47.96,;-7.41,-47.18,;-7.42,-45.65,;-8.75,-44.88,;-8.76,-43.34,;-10.08,-45.66,;-10.07,-47.2,)|
Show InChI InChI=1S/C35H38N8O4/c1-22-9-8-10-23(2)30(22)43-33(44)25-21-36-34(39-32(25)42-27-12-7-6-11-26(27)38-35(42)43)37-24-19-28(45-4)31(29(20-24)46-5)47-18-17-41-15-13-40(3)14-16-41/h6-12,19-21H,13-18H2,1-5H3,(H,36,37,39)
PDB
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n/an/a 3.30E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374621
PNG
(CHEMBL260956)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCN(C)CC1 |(-2.05,-47.19,;-3.39,-47.96,;-3.39,-49.5,;-2.06,-50.27,;-2.07,-51.81,;-.74,-52.59,;.59,-51.82,;.6,-50.27,;1.92,-49.5,;3.26,-50.27,;3.26,-51.81,;1.92,-52.59,;4.6,-52.58,;4.92,-54.08,;4.01,-55.32,;4.62,-56.73,;6.16,-56.89,;7.06,-55.66,;6.44,-54.26,;7.08,-52.85,;5.93,-51.82,;5.94,-50.27,;7.27,-49.5,;7.27,-47.97,;5.93,-47.2,;8.59,-47.2,;9.94,-47.97,;9.93,-49.51,;8.6,-50.28,;8.59,-51.82,;4.59,-49.49,;4.59,-47.95,;-3.39,-52.58,;-4.73,-51.82,;-6.06,-52.59,;-7.39,-51.82,;-4.73,-50.27,;-6.06,-49.5,;-7.4,-50.27,;-8.73,-49.5,;-8.74,-47.96,;-7.41,-47.18,;-7.42,-45.65,;-8.75,-44.88,;-8.76,-43.34,;-10.08,-45.66,;-10.07,-47.2,)|
Show InChI InChI=1S/C35H38N8O4/c1-22-9-8-10-23(2)30(22)43-33(44)25-21-36-34(39-32(25)42-27-12-7-6-11-26(27)38-35(42)43)37-24-19-28(45-4)31(29(20-24)46-5)47-18-17-41-15-13-40(3)14-16-41/h6-12,19-21H,13-18H2,1-5H3,(H,36,37,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50374621
PNG
(CHEMBL260956)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)cc(OC)c1OCCN1CCN(C)CC1 |(-2.05,-47.19,;-3.39,-47.96,;-3.39,-49.5,;-2.06,-50.27,;-2.07,-51.81,;-.74,-52.59,;.59,-51.82,;.6,-50.27,;1.92,-49.5,;3.26,-50.27,;3.26,-51.81,;1.92,-52.59,;4.6,-52.58,;4.92,-54.08,;4.01,-55.32,;4.62,-56.73,;6.16,-56.89,;7.06,-55.66,;6.44,-54.26,;7.08,-52.85,;5.93,-51.82,;5.94,-50.27,;7.27,-49.5,;7.27,-47.97,;5.93,-47.2,;8.59,-47.2,;9.94,-47.97,;9.93,-49.51,;8.6,-50.28,;8.59,-51.82,;4.59,-49.49,;4.59,-47.95,;-3.39,-52.58,;-4.73,-51.82,;-6.06,-52.59,;-7.39,-51.82,;-4.73,-50.27,;-6.06,-49.5,;-7.4,-50.27,;-8.73,-49.5,;-8.74,-47.96,;-7.41,-47.18,;-7.42,-45.65,;-8.75,-44.88,;-8.76,-43.34,;-10.08,-45.66,;-10.07,-47.2,)|
Show InChI InChI=1S/C35H38N8O4/c1-22-9-8-10-23(2)30(22)43-33(44)25-21-36-34(39-32(25)42-27-12-7-6-11-26(27)38-35(42)43)37-24-19-28(45-4)31(29(20-24)46-5)47-18-17-41-15-13-40(3)14-16-41/h6-12,19-21H,13-18H2,1-5H3,(H,36,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src by HTRF assay


J Med Chem 51: 1637-48 (2008)


Article DOI: 10.1021/jm701095m
BindingDB Entry DOI: 10.7270/Q23B6114
More data for this
Ligand-Target Pair