BindingDB logo
myBDB logout

null

SMILES: CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(n1)N(C)CCOC

InChI Key: InChIKey=WDNLDEPHLHIBLH-UHFFFAOYSA-N

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 = 50358601   
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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50358601
PNG
(CHEMBL1923992)
Show SMILES CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(n1)N(C)CCOC
Show InChI InChI=1S/C19H23N7O/c1-20-19-16-17(26(3)11-21-16)12-10-14(23-18(12)24-19)13-6-5-7-15(22-13)25(2)8-9-27-4/h5-7,10-11H,8-9H2,1-4H3,(H2,20,23,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 438n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human IKK2-mediated GST-IkappaBalpha protein fusion phosphorylation

Bioorg Med Chem Lett 21: 7006-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.111
BindingDB Entry DOI: 10.7270/Q2Z038KC
More data for this
Ligand-Target Pair