BindingDB logo
myBDB logout

null

SMILES: Cc1c(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cnn1C

InChI Key: InChIKey=AXEFUXRYGBWMKE-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 = 50336179   
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))		BDBM50336179
PNG
(8-(5-chloro-2-(4-((1,5-dimethyl-1H-pyrazol-4-yl)me...)
Show SMILES Cc1c(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cnn1C
Show InChI InChI=1S/C34H33ClFN9O2/c1-20-22(17-39-42(20)2)19-43-11-13-44(14-12-43)30-16-28(29(35)18-38-30)34(47)40-24-7-3-21-4-10-26-31(33(37)46)41-45(32(26)27(21)15-24)25-8-5-23(36)6-9-25/h3,5-9,15-18H,4,10-14,19H2,1-2H3,(H2,37,46)(H,40,47)
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 2.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IKK2 in human PBMC

Bioorg Med Chem 19: 1242-55 (2011)


Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN
More data for this
Ligand-Target Pair