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BDBM50374614 CHEMBL254674

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cc(Cl)cc2Cl)c3=O)cc1

InChI Key: InChIKey=LSUOLDVCRALNRA-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 = 50374614   
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))
BDBM50374614
PNG
(CHEMBL254674)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cc(Cl)cc2Cl)c3=O)cc1 |(13.38,-19.23,;14.71,-20,;16.05,-19.24,;17.38,-20.01,;17.37,-21.55,;16.04,-22.32,;14.71,-21.55,;18.7,-22.32,;20.04,-21.55,;21.37,-22.32,;21.36,-23.86,;22.69,-24.63,;24.03,-23.87,;24.03,-22.32,;25.35,-21.55,;26.7,-22.31,;26.69,-23.86,;25.36,-24.64,;28.03,-24.63,;28.35,-26.13,;27.44,-27.37,;28.06,-28.77,;29.59,-28.94,;30.49,-27.7,;29.88,-26.3,;30.51,-24.9,;29.37,-23.86,;29.37,-22.32,;30.7,-21.55,;30.7,-20.01,;29.36,-19.25,;32.03,-19.24,;33.37,-20.02,;34.7,-19.25,;33.37,-21.56,;32.03,-22.32,;32.03,-23.86,;28.03,-21.54,;28.03,-20,;20.04,-24.63,;18.71,-23.87,)|
Show InChI InChI=1S/C29H23Cl3N8O/c1-37-10-12-38(13-11-37)19-8-6-18(7-9-19)34-28-33-16-20-26(36-28)39-24-5-3-2-4-23(24)35-29(39)40(27(20)41)25-21(31)14-17(30)15-22(25)32/h2-9,14-16H,10-13H2,1H3,(H,33,34,36)
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PC cid
PC sid
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PubMed
n/an/a 8n/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))
BDBM50374614
PNG
(CHEMBL254674)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cc(Cl)cc2Cl)c3=O)cc1 |(13.38,-19.23,;14.71,-20,;16.05,-19.24,;17.38,-20.01,;17.37,-21.55,;16.04,-22.32,;14.71,-21.55,;18.7,-22.32,;20.04,-21.55,;21.37,-22.32,;21.36,-23.86,;22.69,-24.63,;24.03,-23.87,;24.03,-22.32,;25.35,-21.55,;26.7,-22.31,;26.69,-23.86,;25.36,-24.64,;28.03,-24.63,;28.35,-26.13,;27.44,-27.37,;28.06,-28.77,;29.59,-28.94,;30.49,-27.7,;29.88,-26.3,;30.51,-24.9,;29.37,-23.86,;29.37,-22.32,;30.7,-21.55,;30.7,-20.01,;29.36,-19.25,;32.03,-19.24,;33.37,-20.02,;34.7,-19.25,;33.37,-21.56,;32.03,-22.32,;32.03,-23.86,;28.03,-21.54,;28.03,-20,;20.04,-24.63,;18.71,-23.87,)|
Show InChI InChI=1S/C29H23Cl3N8O/c1-37-10-12-38(13-11-37)19-8-6-18(7-9-19)34-28-33-16-20-26(36-28)39-24-5-3-2-4-23(24)35-29(39)40(27(20)41)25-21(31)14-17(30)15-22(25)32/h2-9,14-16H,10-13H2,1H3,(H,33,34,36)
PDB
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n/an/a 480n/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))
BDBM50374614
PNG
(CHEMBL254674)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cc(Cl)cc2Cl)c3=O)cc1 |(13.38,-19.23,;14.71,-20,;16.05,-19.24,;17.38,-20.01,;17.37,-21.55,;16.04,-22.32,;14.71,-21.55,;18.7,-22.32,;20.04,-21.55,;21.37,-22.32,;21.36,-23.86,;22.69,-24.63,;24.03,-23.87,;24.03,-22.32,;25.35,-21.55,;26.7,-22.31,;26.69,-23.86,;25.36,-24.64,;28.03,-24.63,;28.35,-26.13,;27.44,-27.37,;28.06,-28.77,;29.59,-28.94,;30.49,-27.7,;29.88,-26.3,;30.51,-24.9,;29.37,-23.86,;29.37,-22.32,;30.7,-21.55,;30.7,-20.01,;29.36,-19.25,;32.03,-19.24,;33.37,-20.02,;34.7,-19.25,;33.37,-21.56,;32.03,-22.32,;32.03,-23.86,;28.03,-21.54,;28.03,-20,;20.04,-24.63,;18.71,-23.87,)|
Show InChI InChI=1S/C29H23Cl3N8O/c1-37-10-12-38(13-11-37)19-8-6-18(7-9-19)34-28-33-16-20-26(36-28)39-24-5-3-2-4-23(24)35-29(39)40(27(20)41)25-21(31)14-17(30)15-22(25)32/h2-9,14-16H,10-13H2,1H3,(H,33,34,36)
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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))
BDBM50374614
PNG
(CHEMBL254674)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2c4ccccc4nc2n(-c2c(Cl)cc(Cl)cc2Cl)c3=O)cc1 |(13.38,-19.23,;14.71,-20,;16.05,-19.24,;17.38,-20.01,;17.37,-21.55,;16.04,-22.32,;14.71,-21.55,;18.7,-22.32,;20.04,-21.55,;21.37,-22.32,;21.36,-23.86,;22.69,-24.63,;24.03,-23.87,;24.03,-22.32,;25.35,-21.55,;26.7,-22.31,;26.69,-23.86,;25.36,-24.64,;28.03,-24.63,;28.35,-26.13,;27.44,-27.37,;28.06,-28.77,;29.59,-28.94,;30.49,-27.7,;29.88,-26.3,;30.51,-24.9,;29.37,-23.86,;29.37,-22.32,;30.7,-21.55,;30.7,-20.01,;29.36,-19.25,;32.03,-19.24,;33.37,-20.02,;34.7,-19.25,;33.37,-21.56,;32.03,-22.32,;32.03,-23.86,;28.03,-21.54,;28.03,-20,;20.04,-24.63,;18.71,-23.87,)|
Show InChI InChI=1S/C29H23Cl3N8O/c1-37-10-12-38(13-11-37)19-8-6-18(7-9-19)34-28-33-16-20-26(36-28)39-24-5-3-2-4-23(24)35-29(39)40(27(20)41)25-21(31)14-17(30)15-22(25)32/h2-9,14-16H,10-13H2,1H3,(H,33,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 35n/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