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BDBM50175209 CHEMBL198136::N-(4-(4-amino-1-(1-methylpiperidin-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(C)CC2)c2ncnc(N)c12

InChI Key: InChIKey=HSOYBAXURXRYKS-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 = 50175209   
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))
BDBM50175209
PNG
(CHEMBL198136 | N-(4-(4-amino-1-(1-methylpiperidin-...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H25F4N7O2/c1-36-9-7-16(8-10-36)37-24-21(23(31)32-13-33-24)22(35-37)14-3-6-19(20(11-14)39-2)34-25(38)17-5-4-15(12-18(17)27)26(28,29)30/h3-6,11-13,16H,7-10H2,1-2H3,(H,34,38)(H2,31,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 106n/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))
BDBM50175209
PNG
(CHEMBL198136 | N-(4-(4-amino-1-(1-methylpiperidin-...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H25F4N7O2/c1-36-9-7-16(8-10-36)37-24-21(23(31)32-13-33-24)22(35-37)14-3-6-19(20(11-14)39-2)34-25(38)17-5-4-15(12-18(17)27)26(28,29)30/h3-6,11-13,16H,7-10H2,1-2H3,(H,34,38)(H2,31,32,33)
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))
BDBM50175209
PNG
(CHEMBL198136 | N-(4-(4-amino-1-(1-methylpiperidin-...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H25F4N7O2/c1-36-9-7-16(8-10-36)37-24-21(23(31)32-13-33-24)22(35-37)14-3-6-19(20(11-14)39-2)34-25(38)17-5-4-15(12-18(17)27)26(28,29)30/h3-6,11-13,16H,7-10H2,1-2H3,(H,34,38)(H2,31,32,33)
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