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SMILES: CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4[C@H](C)N)N4CCC[C@H]4C)C3=O)n12

InChI Key:

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 = 606100   
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
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM606100
PNG
(US11684616, Example 3)
Show SMILES CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4[C@H](C)N)N4CCC[C@H]4C)C3=O)n12 |r|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
<0.0500n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF317X
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2


(Homo sapiens (Human))
BDBM606100
PNG
(US11684616, Example 3)
Show SMILES CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4[C@H](C)N)N4CCC[C@H]4C)C3=O)n12 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.33n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF317X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D2


(Homo sapiens (Human))
BDBM606100
PNG
(US11684616, Example 3)
Show SMILES CC[C@H]1CCc2nnc(-c3cccc(n3)N3Cc4c(cc(nc4[C@H](C)N)N4CCC[C@H]4C)C3=O)n12 |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.54n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF317X
More data for this
Ligand-Target Pair