BindingDB logo
myBDB logout

BDBM50360284 CHEMBL1933068::US9150577, 198

SMILES: O=C(Nc1cc(no1)C1CC1)c1ccc2cc3C(=O)NCCCn3c2c1

InChI Key: InChIKey=UJAUSTYSRUCHNY-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 = 50360284   
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))
BDBM50360284
PNG
(CHEMBL1933068 | US9150577, 198)
Show SMILES O=C(Nc1cc(no1)C1CC1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C19H18N4O3/c24-18(21-17-10-14(22-26-17)11-2-3-11)13-5-4-12-8-16-19(25)20-6-1-7-23(16)15(12)9-13/h4-5,8-11H,1-3,6-7H2,(H,20,25)(H,21,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 18n/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))
BDBM50360284
PNG
(CHEMBL1933068 | US9150577, 198)
Show SMILES O=C(Nc1cc(no1)C1CC1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C19H18N4O3/c24-18(21-17-10-14(22-26-17)11-2-3-11)13-5-4-12-8-16-19(25)20-6-1-7-23(16)15(12)9-13/h4-5,8-11H,1-3,6-7H2,(H,20,25)(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 18n/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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50360284
PNG
(CHEMBL1933068 | US9150577, 198)
Show SMILES O=C(Nc1cc(no1)C1CC1)c1ccc2cc3C(=O)NCCCn3c2c1
Show InChI InChI=1S/C19H18N4O3/c24-18(21-17-10-14(22-26-17)11-2-3-11)13-5-4-12-8-16-19(25)20-6-1-7-23(16)15(12)9-13/h4-5,8-11H,1-3,6-7H2,(H,20,25)(H,21,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 250n/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