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BDBM50246213 CHEMBL487896::N3-(2,6-dichlorophenyl)-1-(3-methoxy-3-methylbutyl)-N6-(4-(piperazin-1-yl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

SMILES: COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12

InChI Key: InChIKey=SBJZGWKETAEEGB-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50246213   
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 kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50246213
PNG
(CHEMBL487896 | N3-(2,6-dichlorophenyl)-1-(3-methox...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C27H32Cl2N8O/c1-27(2,38-3)11-14-37-25-20(24(35-37)33-23-21(28)5-4-6-22(23)29)17-31-26(34-25)32-18-7-9-19(10-8-18)36-15-12-30-13-16-36/h4-10,17,30H,11-16H2,1-3H3,(H,33,35)(H,31,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells


Bioorg Med Chem Lett 18: 6352-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ
More data for this
Ligand-Target Pair
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM50246213
PNG
(CHEMBL487896 | N3-(2,6-dichlorophenyl)-1-(3-methox...)
Show SMILES COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C27H32Cl2N8O/c1-27(2,38-3)11-14-37-25-20(24(35-37)33-23-21(28)5-4-6-22(23)29)17-31-26(34-25)32-18-7-9-19(10-8-18)36-15-12-30-13-16-36/h4-10,17,30H,11-16H2,1-3H3,(H,33,35)(H,31,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
12n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells


Bioorg Med Chem Lett 18: 6352-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.092
BindingDB Entry DOI: 10.7270/Q2B56JKZ
More data for this
Ligand-Target Pair