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BDBM50175201 CHEMBL382939::N-(4-(4-amino-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-benzo[d]imidazole-2-carboxamide

SMILES: COc1cc(ccc1NC(=O)c1nc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

InChI Key: InChIKey=KHBDGONPDISQDA-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 = 50175201   
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))
BDBM50175201
PNG
(CHEMBL382939 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1nc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H35N9O3/c1-38-24-6-4-3-5-22(24)35-30(38)31(41)36-23-8-7-19(17-25(23)42-2)27-26-28(32)33-18-34-29(26)40(37-27)21-9-13-39(14-10-21)20-11-15-43-16-12-20/h3-8,17-18,20-21H,9-16H2,1-2H3,(H,36,41)(H2,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 318n/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))
BDBM50175201
PNG
(CHEMBL382939 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1nc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H35N9O3/c1-38-24-6-4-3-5-22(24)35-30(38)31(41)36-23-8-7-19(17-25(23)42-2)27-26-28(32)33-18-34-29(26)40(37-27)21-9-13-39(14-10-21)20-11-15-43-16-12-20/h3-8,17-18,20-21H,9-16H2,1-2H3,(H,36,41)(H2,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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))
BDBM50175201
PNG
(CHEMBL382939 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1nc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C31H35N9O3/c1-38-24-6-4-3-5-22(24)35-30(38)31(41)36-23-8-7-19(17-25(23)42-2)27-26-28(32)33-18-34-29(26)40(37-27)21-9-13-39(14-10-21)20-11-15-43-16-12-20/h3-8,17-18,20-21H,9-16H2,1-2H3,(H,36,41)(H2,32,33,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 54n/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