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BDBM50305880 (S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine::CHEMBL596073

SMILES: Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1

InChI Key: InChIKey=RCRPFFUFPBVPHF-IBGZPJMESA-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 = 50305880   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50305880
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-26-25(33-32-16)7-6-24(31-26)22-11-20(13-30-27(22)17-8-9-34-14-17)35-15-19(28)10-18-12-29-23-5-3-2-4-21(18)23/h2-9,11-14,19,29H,10,15,28H2,1H3,(H,32,33)/t19-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50305880
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-26-25(33-32-16)7-6-24(31-26)22-11-20(13-30-27(22)17-8-9-34-14-17)35-15-19(28)10-18-12-29-23-5-3-2-4-21(18)23/h2-9,11-14,19,29H,10,15,28H2,1H3,(H,32,33)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

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PC sid
UniChem

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Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50305880
PNG
((S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-...)
Show SMILES Cc1n[nH]c2ccc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1 |r|
Show InChI InChI=1S/C27H24N6O2/c1-16-26-25(33-32-16)7-6-24(31-26)22-11-20(13-30-27(22)17-8-9-34-14-17)35-15-19(28)10-18-12-29-23-5-3-2-4-21(18)23/h2-9,11-14,19,29H,10,15,28H2,1H3,(H,32,33)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.86E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta phosphorylation in human BT474 cells


Bioorg Med Chem Lett 20: 679-83 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.060
BindingDB Entry DOI: 10.7270/Q298873F
More data for this
Ligand-Target Pair