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BDBM50194673 4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(2-(pyrrolidin-1-yl)ethylamino)quinazolin-6-yl)benzamide::CHEMBL214556

SMILES: Cc1ccc(cc1-c1ccc2nc(NCCN3CCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F

InChI Key: InChIKey=RKNYQDPVAHZMFZ-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 = 50194673   
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))
BDBM50194673
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O/c1-19-8-9-22(28(39)36-26-7-5-6-25(20(26)2)30(31,32)33)17-24(19)21-10-11-27-23(16-21)18-35-29(37-27)34-12-15-38-13-3-4-14-38/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,36,39)(H,34,35,37)
PDB

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



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50194673
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O/c1-19-8-9-22(28(39)36-26-7-5-6-25(20(26)2)30(31,32)33)17-24(19)21-10-11-27-23(16-21)18-35-29(37-27)34-12-15-38-13-3-4-14-38/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,36,39)(H,34,35,37)
PDB
MMDB

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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50194673
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O/c1-19-8-9-22(28(39)36-26-7-5-6-25(20(26)2)30(31,32)33)17-24(19)21-10-11-27-23(16-21)18-35-29(37-27)34-12-15-38-13-3-4-14-38/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,36,39)(H,34,35,37)
PDB
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NCI pathway
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KEGG

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Article
PubMed
n/an/a 246n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50194673
PNG
(4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCCC3)ncc2c1)C(=O)Nc1cccc(c1C)C(F)(F)F
Show InChI InChI=1S/C30H30F3N5O/c1-19-8-9-22(28(39)36-26-7-5-6-25(20(26)2)30(31,32)33)17-24(19)21-10-11-27-23(16-21)18-35-29(37-27)34-12-15-38-13-3-4-14-38/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,36,39)(H,34,35,37)
PDB

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KEGG

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a>8.33E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak3 by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair