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BDBM50341376 3-(2,6-dichlorophenyl)-7-(4-(2-(diethylamino)ethoxy)phenylamino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one::3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one::CHEMBL1234002

SMILES: CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2c(Cl)cccc2Cl)cc1

InChI Key: InChIKey=LQYPBKQMDVWUGO-UHFFFAOYSA-N

Data: 2 Kd

PDB links: 2 PDB IDs match this monomer.

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 2 hits for monomerid = 50341376   
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))
BDBM50341376
PNG
(3-(2,6-dichlorophenyl)-7-(4-(2-(diethylamino)ethox...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C25H28Cl2N6O2/c1-4-32(5-2)13-14-35-19-11-9-18(10-12-19)29-24-28-15-17-16-33(25(34)31(3)23(17)30-24)22-20(26)7-6-8-21(22)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,29,30)
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MMDB

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UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/a 10n/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


J Med Chem 54: 2255-65 (2011)


Article DOI: 10.1021/jm101423y
BindingDB Entry DOI: 10.7270/Q20P109X
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50341376
PNG
(3-(2,6-dichlorophenyl)-7-(4-(2-(diethylamino)ethox...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C25H28Cl2N6O2/c1-4-32(5-2)13-14-35-19-11-9-18(10-12-19)29-24-28-15-17-16-33(25(34)31(3)23(17)30-24)22-20(26)7-6-8-21(22)27/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/an/a 0.200n/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 54: 2255-65 (2011)


Article DOI: 10.1021/jm101423y
BindingDB Entry DOI: 10.7270/Q20P109X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)