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BDBM50175202 CHEMBL370383::N-(4-(4-amino-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-4-methylbenzamide

SMILES: COc1cc(ccc1NC(=O)c1ccc(C)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

InChI Key: InChIKey=IIGKHCOMPQGVTL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50175202   
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))
BDBM50175202
PNG
(CHEMBL370383 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(C)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C30H35N7O3/c1-19-3-5-20(6-4-19)30(38)34-24-8-7-21(17-25(24)39-2)27-26-28(31)32-18-33-29(26)37(35-27)23-9-13-36(14-10-23)22-11-15-40-16-12-22/h3-8,17-18,22-23H,9-16H2,1-2H3,(H,34,38)(H2,31,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.96E+3n/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))
BDBM50175202
PNG
(CHEMBL370383 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1ccc(C)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C30H35N7O3/c1-19-3-5-20(6-4-19)30(38)34-24-8-7-21(17-25(24)39-2)27-26-28(31)32-18-33-29(26)37(35-27)23-9-13-36(14-10-23)22-11-15-40-16-12-22/h3-8,17-18,22-23H,9-16H2,1-2H3,(H,34,38)(H2,31,32,33)
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