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SMILES: CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC23CC(C2)C3)n1

InChI Key:

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50578364   
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 8


(Homo sapiens (Human))		BDBM50578364
PNG
(CHEMBL4875131)
Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC23CC(C2)C3)n1 |r,wU:5.8,wD:2.1,(64.75,-19.37,;66.09,-18.6,;67.42,-19.38,;67.42,-20.92,;68.75,-21.7,;70.08,-20.93,;70.09,-19.39,;68.76,-18.62,;71.41,-21.7,;72.75,-20.93,;72.75,-19.38,;74.08,-18.61,;75.41,-19.38,;76.74,-18.6,;78.08,-19.36,;76.73,-17.06,;75.42,-20.92,;76.76,-21.68,;76.76,-23.22,;75.68,-24.31,;76.78,-25.4,;77.86,-24.3,;76.29,-24.27,;74.08,-21.7,)|
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MMDB

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Reactome pathway
KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX
More data for this
Ligand-Target Pair