BindingDB logo
myBDB logout

BDBM50357915 CHEMBL1916529

SMILES: CN1C(C)(C)CC(CC1(C)C)Nc1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1

InChI Key: InChIKey=WOXFIIIHPWKJPG-UHFFFAOYSA-N

Data: 1 IC50

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 = 50357915   
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 14


(Homo sapiens (Human))		BDBM50357915
PNG
(CHEMBL1916529)
Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(4.35,-2.11,;3.01,-2.87,;2.99,-4.41,;4.53,-4.41,;3.76,-5.74,;1.66,-5.17,;.33,-4.39,;.33,-2.86,;1.67,-2.09,;.89,-.75,;2.44,-.75,;-1.01,-5.16,;-2.34,-4.38,;-2.34,-2.84,;-3.67,-2.06,;-3.67,-.52,;-2.34,.24,;-2.34,1.78,;-3.67,2.55,;-5.01,1.78,;-5,.24,;-6.33,-.53,;-5.01,-2.83,;-6.34,-2.07,;-7.67,-2.84,;-7.67,-4.38,;-9.01,-5.15,;-6.34,-5.15,;-6.33,-6.69,;-7.67,-7.46,;-9,-6.69,;-7.67,-9,;-6.33,-9.77,;-4.99,-8.98,;-5,-7.45,;-3.67,-6.67,;-5.01,-4.38,;-3.68,-5.15,)|
Show InChI InChI=1S/C30H31Cl3N4O/c1-29(2)16-18(17-30(3,4)36(29)5)34-25-15-21(19-9-6-7-10-22(19)31)20-13-14-37(38)28(27(20)35-25)26-23(32)11-8-12-24(26)33/h6-15,18H,16-17H2,1-5H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis

J Med Chem 54: 7899-910 (2011)


Article DOI: 10.1021/jm200975u
BindingDB Entry DOI: 10.7270/Q2MW2HKR
More data for this
Ligand-Target Pair