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BDBM50175200 CHEMBL371295::N-(4-(4-amino-1-(1-(1-methylpiperidin-4-yl)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(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12

InChI Key: InChIKey=ACWCZTSMEMBDNR-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175200   
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))
BDBM50175200
PNG
(CHEMBL371295 | N-(4-(4-amino-1-(1-(1-methylpiperid...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H34F4N8O2/c1-41-11-7-20(8-12-41)42-13-9-21(10-14-42)43-29-26(28(36)37-17-38-29)27(40-43)18-3-6-24(25(15-18)45-2)39-30(44)22-5-4-19(16-23(22)32)31(33,34)35/h3-6,15-17,20-21H,7-14H2,1-2H3,(H,39,44)(H2,36,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 23n/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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50175200
PNG
(CHEMBL371295 | N-(4-(4-amino-1-(1-(1-methylpiperid...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H34F4N8O2/c1-41-11-7-20(8-12-41)42-13-9-21(10-14-42)43-29-26(28(36)37-17-38-29)27(40-43)18-3-6-24(25(15-18)45-2)39-30(44)22-5-4-19(16-23(22)32)31(33,34)35/h3-6,15-17,20-21H,7-14H2,1-2H3,(H,39,44)(H2,36,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20n/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))
BDBM50175200
PNG
(CHEMBL371295 | N-(4-(4-amino-1-(1-(1-methylpiperid...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H34F4N8O2/c1-41-11-7-20(8-12-41)42-13-9-21(10-14-42)43-29-26(28(36)37-17-38-29)27(40-43)18-3-6-24(25(15-18)45-2)39-30(44)22-5-4-19(16-23(22)32)31(33,34)35/h3-6,15-17,20-21H,7-14H2,1-2H3,(H,39,44)(H2,36,37,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.07E+3n/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