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2 similar compounds to monomer 168047

Compile data set for download or QSAR
Wt: 401.4
BDBM168061
Wt: 415.4
BDBM168062

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 168061,168062   
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-3


(Homo sapiens (Human))
BDBM168062
PNG
(US9073926, 96)
Show SMILES CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cc(Cc2ccccc2)no1
Show InChI InChI=1S/C23H21N5O3/c1-14-9-10-24-23(30)19-12-16-7-8-18(25-21(16)28(14)19)22(29)26-20-13-17(27-31-20)11-15-5-3-2-4-6-15/h2-8,12-14H,9-11H2,1H3,(H,24,30)(H,26,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/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 US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM168061
PNG
(US9073926, 95)
Show SMILES O=C(Nc1cc(Cc2ccccc2)no1)c1ccc2cc3C(=O)NCCCn3c2n1
Show InChI InChI=1S/C22H19N5O3/c28-21(25-19-13-16(26-30-19)11-14-5-2-1-3-6-14)17-8-7-15-12-18-22(29)23-9-4-10-27(18)20(15)24-17/h1-3,5-8,12-13H,4,9-11H2,(H,23,29)(H,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.60n/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 US9073926 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01J6
More data for this
Ligand-Target Pair