BindingDB logo
myBDB logout

null

SMILES: CCC(=O)N1CCN([C@H]2C[C@H](C2)C(=O)Nc2cc3cc(ccn3n2)-c2cnc(CO[C@H]3CCC[C@@H]3O)nc2)[C@@H](C)C1

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 1 hit for monomerid = 647586   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))		BDBM647586
PNG
(US20240025893, Example e-02-05)
Show SMILES CCC(=O)N1CCN([C@H]2C[C@H](C2)C(=O)Nc2cc3cc(ccn3n2)-c2cnc(CO[C@H]3CCC[C@@H]3O)nc2)[C@@H](C)C1 |r,wU:10.12,30.32,8.7,38.43,wD:34.38,(-14.99,2.44,;-13.45,2.44,;-12.68,1.1,;-13.45,-.23,;-11.14,1.1,;-10.37,2.44,;-8.83,2.44,;-8.06,1.1,;-6.52,1.1,;-5.43,2.19,;-4.34,1.1,;-5.43,.01,;-2.8,1.1,;-2.03,-.23,;-2.03,2.44,;-.49,2.44,;.42,1.19,;1.88,1.67,;3.21,.9,;4.55,1.67,;4.55,3.21,;3.21,3.98,;1.88,3.21,;.42,3.68,;5.88,.9,;5.88,-.64,;7.22,-1.41,;8.55,-.64,;9.88,-1.41,;11.22,-.64,;12.55,-1.41,;13.96,-.79,;14.99,-1.93,;14.22,-3.27,;12.71,-2.95,;11.57,-3.98,;8.55,.9,;7.22,1.67,;-8.83,-.23,;-8.06,-1.57,;-10.37,-.23,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.14n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair