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BDBM50374617 CHEMBL405430

SMILES: COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=XIAPVNDAOMFCDE-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 = 50374617   
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))
BDBM50374617
PNG
(CHEMBL405430)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCCN1CCN(C)CC1 |(-3.89,-6.67,;-5.23,-7.43,;-5.23,-8.97,;-3.9,-9.74,;-3.91,-11.29,;-2.58,-12.06,;-1.25,-11.29,;-1.24,-9.74,;.08,-8.97,;1.42,-9.74,;1.42,-11.28,;.08,-12.06,;2.76,-12.05,;3.08,-13.56,;2.17,-14.79,;2.79,-16.2,;4.32,-16.36,;5.22,-15.13,;4.6,-13.73,;5.24,-12.32,;4.09,-11.29,;4.1,-9.74,;5.43,-8.97,;5.43,-7.44,;4.09,-6.67,;6.75,-6.67,;8.1,-7.44,;8.09,-8.98,;6.76,-9.75,;6.75,-11.29,;2.76,-8.96,;2.76,-7.42,;-5.23,-12.05,;-6.57,-11.29,;-6.57,-9.74,;-7.9,-8.97,;-9.24,-9.74,;-10.57,-8.97,;-10.57,-7.43,;-9.24,-6.66,;-7.9,-7.44,;-6.57,-6.68,;-6.56,-5.14,;-5.23,-4.37,;-7.9,-4.36,;-9.24,-5.13,)|
Show InChI InChI=1S/C35H38N8O3/c1-23-9-7-10-24(2)31(23)43-33(44)26-22-36-34(39-32(26)42-28-12-6-5-11-27(28)38-35(42)43)37-25-13-14-29(30(21-25)45-4)46-20-8-15-41-18-16-40(3)17-19-41/h5-7,9-14,21-22H,8,15-20H2,1-4H3,(H,36,37,39)
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n/an/a 12n/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))
BDBM50374617
PNG
(CHEMBL405430)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCCN1CCN(C)CC1 |(-3.89,-6.67,;-5.23,-7.43,;-5.23,-8.97,;-3.9,-9.74,;-3.91,-11.29,;-2.58,-12.06,;-1.25,-11.29,;-1.24,-9.74,;.08,-8.97,;1.42,-9.74,;1.42,-11.28,;.08,-12.06,;2.76,-12.05,;3.08,-13.56,;2.17,-14.79,;2.79,-16.2,;4.32,-16.36,;5.22,-15.13,;4.6,-13.73,;5.24,-12.32,;4.09,-11.29,;4.1,-9.74,;5.43,-8.97,;5.43,-7.44,;4.09,-6.67,;6.75,-6.67,;8.1,-7.44,;8.09,-8.98,;6.76,-9.75,;6.75,-11.29,;2.76,-8.96,;2.76,-7.42,;-5.23,-12.05,;-6.57,-11.29,;-6.57,-9.74,;-7.9,-8.97,;-9.24,-9.74,;-10.57,-8.97,;-10.57,-7.43,;-9.24,-6.66,;-7.9,-7.44,;-6.57,-6.68,;-6.56,-5.14,;-5.23,-4.37,;-7.9,-4.36,;-9.24,-5.13,)|
Show InChI InChI=1S/C35H38N8O3/c1-23-9-7-10-24(2)31(23)43-33(44)26-22-36-34(39-32(26)42-28-12-6-5-11-27(28)38-35(42)43)37-25-13-14-29(30(21-25)45-4)46-20-8-15-41-18-16-40(3)17-19-41/h5-7,9-14,21-22H,8,15-20H2,1-4H3,(H,36,37,39)
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n/an/a 5.00E+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))
BDBM50374617
PNG
(CHEMBL405430)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCCN1CCN(C)CC1 |(-3.89,-6.67,;-5.23,-7.43,;-5.23,-8.97,;-3.9,-9.74,;-3.91,-11.29,;-2.58,-12.06,;-1.25,-11.29,;-1.24,-9.74,;.08,-8.97,;1.42,-9.74,;1.42,-11.28,;.08,-12.06,;2.76,-12.05,;3.08,-13.56,;2.17,-14.79,;2.79,-16.2,;4.32,-16.36,;5.22,-15.13,;4.6,-13.73,;5.24,-12.32,;4.09,-11.29,;4.1,-9.74,;5.43,-8.97,;5.43,-7.44,;4.09,-6.67,;6.75,-6.67,;8.1,-7.44,;8.09,-8.98,;6.76,-9.75,;6.75,-11.29,;2.76,-8.96,;2.76,-7.42,;-5.23,-12.05,;-6.57,-11.29,;-6.57,-9.74,;-7.9,-8.97,;-9.24,-9.74,;-10.57,-8.97,;-10.57,-7.43,;-9.24,-6.66,;-7.9,-7.44,;-6.57,-6.68,;-6.56,-5.14,;-5.23,-4.37,;-7.9,-4.36,;-9.24,-5.13,)|
Show InChI InChI=1S/C35H38N8O3/c1-23-9-7-10-24(2)31(23)43-33(44)26-22-36-34(39-32(26)42-28-12-6-5-11-27(28)38-35(42)43)37-25-13-14-29(30(21-25)45-4)46-20-8-15-41-18-16-40(3)17-19-41/h5-7,9-14,21-22H,8,15-20H2,1-4H3,(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))
BDBM50374617
PNG
(CHEMBL405430)
Show SMILES COc1cc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(C)cccc2C)c3=O)ccc1OCCCN1CCN(C)CC1 |(-3.89,-6.67,;-5.23,-7.43,;-5.23,-8.97,;-3.9,-9.74,;-3.91,-11.29,;-2.58,-12.06,;-1.25,-11.29,;-1.24,-9.74,;.08,-8.97,;1.42,-9.74,;1.42,-11.28,;.08,-12.06,;2.76,-12.05,;3.08,-13.56,;2.17,-14.79,;2.79,-16.2,;4.32,-16.36,;5.22,-15.13,;4.6,-13.73,;5.24,-12.32,;4.09,-11.29,;4.1,-9.74,;5.43,-8.97,;5.43,-7.44,;4.09,-6.67,;6.75,-6.67,;8.1,-7.44,;8.09,-8.98,;6.76,-9.75,;6.75,-11.29,;2.76,-8.96,;2.76,-7.42,;-5.23,-12.05,;-6.57,-11.29,;-6.57,-9.74,;-7.9,-8.97,;-9.24,-9.74,;-10.57,-8.97,;-10.57,-7.43,;-9.24,-6.66,;-7.9,-7.44,;-6.57,-6.68,;-6.56,-5.14,;-5.23,-4.37,;-7.9,-4.36,;-9.24,-5.13,)|
Show InChI InChI=1S/C35H38N8O3/c1-23-9-7-10-24(2)31(23)43-33(44)26-22-36-34(39-32(26)42-28-12-6-5-11-27(28)38-35(42)43)37-25-13-14-29(30(21-25)45-4)46-20-8-15-41-18-16-40(3)17-19-41/h5-7,9-14,21-22H,8,15-20H2,1-4H3,(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 180n/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