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BDBM50175210 CHEMBL199438::N-(4-(4-amino-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-5-chloro-1-methyl-1H-indole-2-carboxamide

SMILES: COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

InChI Key: InChIKey=NNOQJLWWECHQDJ-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 = 50175210   
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))
BDBM50175210
PNG
(CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H35ClN8O3/c1-39-25-6-4-21(33)15-20(25)16-26(39)32(42)37-24-5-3-19(17-27(24)43-2)29-28-30(34)35-18-36-31(28)41(38-29)23-7-11-40(12-8-23)22-9-13-44-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H,37,42)(H2,34,35,36)
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 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))
BDBM50175210
PNG
(CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H35ClN8O3/c1-39-25-6-4-21(33)15-20(25)16-26(39)32(42)37-24-5-3-19(17-27(24)43-2)29-28-30(34)35-18-36-31(28)41(38-29)23-7-11-40(12-8-23)22-9-13-44-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H,37,42)(H2,34,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/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))
BDBM50175210
PNG
(CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C32H35ClN8O3/c1-39-25-6-4-21(33)15-20(25)16-26(39)32(42)37-24-5-3-19(17-27(24)43-2)29-28-30(34)35-18-36-31(28)41(38-29)23-7-11-40(12-8-23)22-9-13-44-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H,37,42)(H2,34,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.36E+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