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BDBM50374609 CHEMBL270777

SMILES: COc1cc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc(OC)c1OC

InChI Key: InChIKey=OSSISQQUQBLCRH-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 = 50374609   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50374609
PNG
(CHEMBL270777)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc(OC)c1OC |(-10.47,-11.17,;-9.13,-11.93,;-7.8,-11.16,;-6.47,-11.93,;-5.15,-11.16,;-3.81,-11.93,;-2.48,-11.16,;-2.48,-9.62,;-1.15,-8.85,;.19,-9.61,;.19,-11.16,;-1.15,-11.93,;1.53,-11.93,;2.86,-11.16,;4,-12.19,;3.37,-13.6,;3.99,-15,;3.09,-16.23,;1.55,-16.07,;.94,-14.66,;1.85,-13.43,;2.86,-9.61,;4.2,-8.84,;4.19,-7.31,;2.86,-6.54,;5.52,-6.54,;6.86,-7.31,;6.86,-8.85,;5.53,-9.62,;5.52,-11.16,;1.52,-8.83,;1.52,-7.29,;-5.13,-9.62,;-6.46,-8.84,;-6.46,-7.3,;-5.13,-6.54,;-7.8,-9.61,;-9.13,-8.84,;-10.47,-9.61,)|
Show InChI InChI=1S/C29H26N6O4/c1-16-9-8-10-17(2)24(16)35-27(36)19-15-30-28(31-18-13-22(37-3)25(39-5)23(14-18)38-4)33-26(19)34-21-12-7-6-11-20(21)32-29(34)35/h6-15H,1-5H3,(H,30,31,33)
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Article
PubMed
n/an/a 1.90E+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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50374609
PNG
(CHEMBL270777)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc(OC)c1OC |(-10.47,-11.17,;-9.13,-11.93,;-7.8,-11.16,;-6.47,-11.93,;-5.15,-11.16,;-3.81,-11.93,;-2.48,-11.16,;-2.48,-9.62,;-1.15,-8.85,;.19,-9.61,;.19,-11.16,;-1.15,-11.93,;1.53,-11.93,;2.86,-11.16,;4,-12.19,;3.37,-13.6,;3.99,-15,;3.09,-16.23,;1.55,-16.07,;.94,-14.66,;1.85,-13.43,;2.86,-9.61,;4.2,-8.84,;4.19,-7.31,;2.86,-6.54,;5.52,-6.54,;6.86,-7.31,;6.86,-8.85,;5.53,-9.62,;5.52,-11.16,;1.52,-8.83,;1.52,-7.29,;-5.13,-9.62,;-6.46,-8.84,;-6.46,-7.3,;-5.13,-6.54,;-7.8,-9.61,;-9.13,-8.84,;-10.47,-9.61,)|
Show InChI InChI=1S/C29H26N6O4/c1-16-9-8-10-17(2)24(16)35-27(36)19-15-30-28(31-18-13-22(37-3)25(39-5)23(14-18)38-4)33-26(19)34-21-12-7-6-11-20(21)32-29(34)35/h6-15H,1-5H3,(H,30,31,33)
PDB

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n/an/a 27n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50374609
PNG
(CHEMBL270777)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc(OC)c1OC |(-10.47,-11.17,;-9.13,-11.93,;-7.8,-11.16,;-6.47,-11.93,;-5.15,-11.16,;-3.81,-11.93,;-2.48,-11.16,;-2.48,-9.62,;-1.15,-8.85,;.19,-9.61,;.19,-11.16,;-1.15,-11.93,;1.53,-11.93,;2.86,-11.16,;4,-12.19,;3.37,-13.6,;3.99,-15,;3.09,-16.23,;1.55,-16.07,;.94,-14.66,;1.85,-13.43,;2.86,-9.61,;4.2,-8.84,;4.19,-7.31,;2.86,-6.54,;5.52,-6.54,;6.86,-7.31,;6.86,-8.85,;5.53,-9.62,;5.52,-11.16,;1.52,-8.83,;1.52,-7.29,;-5.13,-9.62,;-6.46,-8.84,;-6.46,-7.3,;-5.13,-6.54,;-7.8,-9.61,;-9.13,-8.84,;-10.47,-9.61,)|
Show InChI InChI=1S/C29H26N6O4/c1-16-9-8-10-17(2)24(16)35-27(36)19-15-30-28(31-18-13-22(37-3)25(39-5)23(14-18)38-4)33-26(19)34-21-12-7-6-11-20(21)32-29(34)35/h6-15H,1-5H3,(H,30,31,33)
PDB
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NCI pathway
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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))
BDBM50374609
PNG
(CHEMBL270777)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c(nc4ccccc24)n(-c2c(C)cccc2C)c3=O)cc(OC)c1OC |(-10.47,-11.17,;-9.13,-11.93,;-7.8,-11.16,;-6.47,-11.93,;-5.15,-11.16,;-3.81,-11.93,;-2.48,-11.16,;-2.48,-9.62,;-1.15,-8.85,;.19,-9.61,;.19,-11.16,;-1.15,-11.93,;1.53,-11.93,;2.86,-11.16,;4,-12.19,;3.37,-13.6,;3.99,-15,;3.09,-16.23,;1.55,-16.07,;.94,-14.66,;1.85,-13.43,;2.86,-9.61,;4.2,-8.84,;4.19,-7.31,;2.86,-6.54,;5.52,-6.54,;6.86,-7.31,;6.86,-8.85,;5.53,-9.62,;5.52,-11.16,;1.52,-8.83,;1.52,-7.29,;-5.13,-9.62,;-6.46,-8.84,;-6.46,-7.3,;-5.13,-6.54,;-7.8,-9.61,;-9.13,-8.84,;-10.47,-9.61,)|
Show InChI InChI=1S/C29H26N6O4/c1-16-9-8-10-17(2)24(16)35-27(36)19-15-30-28(31-18-13-22(37-3)25(39-5)23(14-18)38-4)33-26(19)34-21-12-7-6-11-20(21)32-29(34)35/h6-15H,1-5H3,(H,30,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 210n/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