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BDBM50175205 CHEMBL200587::N-(4-(4-amino-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-2-fluoro-4-(trifluoromethyl)benzamide

SMILES: COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCNCC2)c2ncnc(N)c12

InChI Key: InChIKey=FJLCUIPBRCOHAL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50175205   
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))
BDBM50175205
PNG
(CHEMBL200587 | N-(4-(4-amino-1-(piperidin-4-yl)-1H...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H23F4N7O2/c1-38-19-10-13(2-5-18(19)34-24(37)16-4-3-14(11-17(16)26)25(27,28)29)21-20-22(30)32-12-33-23(20)36(35-21)15-6-8-31-9-7-15/h2-5,10-12,15,31H,6-9H2,1H3,(H,34,37)(H2,30,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against lck


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50175205
PNG
(CHEMBL200587 | N-(4-(4-amino-1-(piperidin-4-yl)-1H...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H23F4N7O2/c1-38-19-10-13(2-5-18(19)34-24(37)16-4-3-14(11-17(16)26)25(27,28)29)21-20-22(30)32-12-33-23(20)36(35-21)15-6-8-31-9-7-15/h2-5,10-12,15,31H,6-9H2,1H3,(H,34,37)(H2,30,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against fyn


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50175205
PNG
(CHEMBL200587 | N-(4-(4-amino-1-(piperidin-4-yl)-1H...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H23F4N7O2/c1-38-19-10-13(2-5-18(19)34-24(37)16-4-3-14(11-17(16)26)25(27,28)29)21-20-22(30)32-12-33-23(20)36(35-21)15-6-8-31-9-7-15/h2-5,10-12,15,31H,6-9H2,1H3,(H,34,37)(H2,30,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood


Bioorg Med Chem Lett 16: 118-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.039
BindingDB Entry DOI: 10.7270/Q22F7N07
More data for this
Ligand-Target Pair