BindingDB logo
myBDB logout

null

SMILES: OC1C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1

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 = 643854   
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))		BDBM643854
PNG
(US11866405, Example 47)
Show SMILES OC1C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wD:7.11,3.3,(-10.67,-7.73,;-9.58,-6.64,;-8.49,-7.73,;-7.41,-6.64,;-8.49,-5.55,;-6.64,-5.31,;-5.1,-5.31,;-4.33,-6.64,;-5.1,-7.97,;-6.64,-7.97,;-2.79,-6.64,;-1.88,-5.39,;-.42,-5.87,;.92,-5.1,;2.25,-5.87,;3.59,-5.1,;3.59,-3.56,;4.92,-5.87,;6.25,-5.1,;6.41,-3.57,;7.92,-3.25,;8.69,-4.58,;10.2,-4.9,;10.67,-6.37,;9.64,-7.51,;8.14,-7.19,;7.66,-5.73,;2.25,-7.41,;3.59,-8.18,;3.59,-9.72,;2.82,-11.05,;4.36,-11.05,;.92,-8.18,;-.42,-7.41,;-1.88,-7.89,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair