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BDBM50360291 CHEMBL1933278::US9150577, 114

SMILES: O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3C(=O)NCCCn3c2c1

InChI Key: InChIKey=WKUUMSASAHOWGZ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50360291   
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
Ribosomal protein S6 kinase alpha 2


(Homo sapiens (human))
BDBM50360291
PNG
(CHEMBL1933278 | US9150577, 114)
Show SMILES O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C22H20N6O2/c29-21(26-18-12-25-27(14-18)13-15-4-7-23-8-5-15)17-3-2-16-10-20-22(30)24-6-1-9-28(20)19(16)11-17/h2-5,7-8,10-12,14H,1,6,9,13H2,(H,24,30)(H,26,29)
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US Patent
n/an/a 1.90n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...


US Patent US9150577 (2015)


BindingDB Entry DOI: 10.7270/Q2GB22V6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM50360291
PNG
(CHEMBL1933278 | US9150577, 114)
Show SMILES O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C22H20N6O2/c29-21(26-18-12-25-27(14-18)13-15-4-7-23-8-5-15)17-3-2-16-10-20-22(30)24-6-1-9-28(20)19(16)11-17/h2-5,7-8,10-12,14H,1,6,9,13H2,(H,24,30)(H,26,29)
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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2-mediated CREB phosphorylation in HLR-CREB cells by cell based assay


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM50360291
PNG
(CHEMBL1933278 | US9150577, 114)
Show SMILES O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C22H20N6O2/c29-21(26-18-12-25-27(14-18)13-15-4-7-23-8-5-15)17-3-2-16-10-20-22(30)24-6-1-9-28(20)19(16)11-17/h2-5,7-8,10-12,14H,1,6,9,13H2,(H,24,30)(H,26,29)
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human RSK2


Bioorg Med Chem Lett 22: 738-42 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.029
BindingDB Entry DOI: 10.7270/Q2348KTR
More data for this
Ligand-Target Pair