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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase alpha-3' and Ligand = 'BDBM244211'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 906n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.36E+3n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (human))
BDBM244211
PNG
((r)-n-(1-(dimethylamino)propan-2-yl)-5,5-dimethyl-...)
Show SMILES CC(CN(C)C)NC(=O)N1Cc2nc(Nc3ccccc3)ncc2C1(C)C
Show InChI InChI=1S/C20H28N6O/c1-14(12-25(4)5)22-19(27)26-13-17-16(20(26,2)3)11-21-18(24-17)23-15-9-7-6-8-10-15/h6-11,14H,12-13H2,1-5H3,(H,22,27)(H,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.75E+4n/an/an/an/an/an/a



Novartis AG

US Patent




US Patent US9546173 (2017)

More data for this
Ligand-Target Pair