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BDBM50175199 CHEMBL371459::N-(4-(1-(1-(1-acetylpiperidin-4-yl)piperidin-4-yl)-4-amino-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(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12

InChI Key: InChIKey=AGIZACGBAVDGOW-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 = 50175199   
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))
BDBM50175199
PNG
(CHEMBL371459 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C32H34F4N8O3/c1-18(45)42-11-7-21(8-12-42)43-13-9-22(10-14-43)44-30-27(29(37)38-17-39-30)28(41-44)19-3-6-25(26(15-19)47-2)40-31(46)23-5-4-20(16-24(23)33)32(34,35)36/h3-6,15-17,21-22H,7-14H2,1-2H3,(H,40,46)(H2,37,38,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 30n/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
SRC


(Homo sapiens (Human))
BDBM50175199
PNG
(CHEMBL371459 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C32H34F4N8O3/c1-18(45)42-11-7-21(8-12-42)43-13-9-22(10-14-43)44-30-27(29(37)38-17-39-30)28(41-44)19-3-6-25(26(15-19)47-2)40-31(46)23-5-4-20(16-24(23)33)32(34,35)36/h3-6,15-17,21-22H,7-14H2,1-2H3,(H,40,46)(H2,37,38,39)
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))
BDBM50175199
PNG
(CHEMBL371459 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C32H34F4N8O3/c1-18(45)42-11-7-21(8-12-42)43-13-9-22(10-14-43)44-30-27(29(37)38-17-39-30)28(41-44)19-3-6-25(26(15-19)47-2)40-31(46)23-5-4-20(16-24(23)33)32(34,35)36/h3-6,15-17,21-22H,7-14H2,1-2H3,(H,40,46)(H2,37,38,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 93n/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