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BDBM209410 US9266890, I-20

SMILES: CN1c2cnc(Nc3ccc4ncccc4c3)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O

InChI Key: InChIKey=ZHTUZPLYOZGZPR-PZJWPPBQSA-N

Data: 1 Kd

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 = 209410   
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
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM209410
PNG
(US9266890, I-20)
Show SMILES CN1c2cnc(Nc3ccc4ncccc4c3)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O |r|
Show InChI InChI=1S/C25H28N6O/c1-30-22-15-27-25(28-17-11-12-20-16(14-17)6-5-13-26-20)29-23(22)31(18-7-2-3-8-18)21-10-4-9-19(21)24(30)32/h5-6,11-15,18-19,21H,2-4,7-10H2,1H3,(H,27,28,29)/t19-,21+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 550n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair