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BDBM50194676 1-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea::CHEMBL424719

SMILES: CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C

InChI Key: InChIKey=MMJHUKOMQZXIPW-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 = 50194676   
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 JAK3


(Homo sapiens (Human))
BDBM50194676
PNG
(1-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phen...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H20F3N5O/c1-14-6-8-19(31-23(33)30-18-5-3-4-17(11-18)24(25,26)27)12-20(14)15-7-9-21-16(10-15)13-29-22(28-2)32-21/h3-13H,1-2H3,(H,28,29,32)(H2,30,31,33)
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n/an/a 1.14E+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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50194676
PNG
(1-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phen...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H20F3N5O/c1-14-6-8-19(31-23(33)30-18-5-3-4-17(11-18)24(25,26)27)12-20(14)15-7-9-21-16(10-15)13-29-22(28-2)32-21/h3-13H,1-2H3,(H,28,29,32)(H2,30,31,33)
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n/an/a 5n/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))
BDBM50194676
PNG
(1-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phen...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H20F3N5O/c1-14-6-8-19(31-23(33)30-18-5-3-4-17(11-18)24(25,26)27)12-20(14)15-7-9-21-16(10-15)13-29-22(28-2)32-21/h3-13H,1-2H3,(H,28,29,32)(H2,30,31,33)
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Article
PubMed
n/an/a 52n/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 Lck


(Homo sapiens (Human))
BDBM50194676
PNG
(1-(4-methyl-3-(2-(methylamino)quinazolin-6-yl)phen...)
Show SMILES CNc1ncc2cc(ccc2n1)-c1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H20F3N5O/c1-14-6-8-19(31-23(33)30-18-5-3-4-17(11-18)24(25,26)27)12-20(14)15-7-9-21-16(10-15)13-29-22(28-2)32-21/h3-13H,1-2H3,(H,28,29,32)(H2,30,31,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8n/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