BindingDB logo
myBDB logout

null

SMILES: CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=XGMZRFLQBXOCKP-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 = 50374680   
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
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50374680
PNG
(CHEMBL429504)
Show SMILES CC1(C)CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C30H32N6O3S/c1-30(2)18-31-28(39)25-14-20-8-9-21(15-24(20)36(25)30)26(37)34-29-33-23(17-40-29)27(38)32-22-10-12-35(13-11-22)16-19-6-4-3-5-7-19/h3-9,14-15,17,22H,10-13,16,18H2,1-2H3,(H,31,39)(H,32,38)(H,33,34,37)
PDB
MMDB

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 5n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MK2

Bioorg Med Chem Lett 18: 938-41 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.037
BindingDB Entry DOI: 10.7270/Q22B8ZWZ
More data for this
Ligand-Target Pair