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BDBM50175195 CHEMBL370773::N-(4-(1-(1-(1-acetylpiperidin-4-yl)piperidin-4-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide

SMILES: COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12

InChI Key: InChIKey=QFNDMWXKSLDXLR-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 = 50175195   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50175195
PNG
(CHEMBL370773 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-10-24(11-15-41)42-16-12-25(13-17-42)43-33-30(32(35)36-20-37-33)31(39-43)23-8-9-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-9,18-20,24-25H,10-17H2,1-3H3,(H,38,45)(H2,35,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.72E+4n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory activity against src


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))
BDBM50175195
PNG
(CHEMBL370773 | N-(4-(1-(1-(1-acetylpiperidin-4-yl)...)
Show SMILES COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12
Show InChI InChI=1S/C34H39N9O3/c1-21(44)41-14-10-24(11-15-41)42-16-12-25(13-17-42)43-33-30(32(35)36-20-37-33)31(39-43)23-8-9-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-9,18-20,24-25H,10-17H2,1-3H3,(H,38,45)(H2,35,36,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/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