BindingDB logo
myBDB logout

null

SMILES: C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C(F)(F)C1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=FVERTOZXKDXXNN-GFCCVEGCSA-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 = 180945   
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 1


(Homo sapiens (Human))		BDBM180945
PNG
(US9133187, I-50)
Show SMILES C[C@@H](NC(=O)N1Cc2nc(NC3CCOCC3)ncc2C(F)(F)C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C21H23Cl2F2N5O2/c1-12(13-2-3-16(22)17(23)8-13)27-20(31)30-10-18-15(21(24,25)11-30)9-26-19(29-18)28-14-4-6-32-7-5-14/h2-3,8-9,12,14H,4-7,10-11H2,1H3,(H,27,31)(H,26,28,29)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
US Patent
n/an/a 1.60n/an/an/an/a7.3n/a



ARRAY BIOPHARMA INC.; GENENTECH, INC.

US Patent


Assay Description
Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...

US Patent US9133187 (2015)


BindingDB Entry DOI: 10.7270/Q28W3C2N
More data for this
Ligand-Target Pair