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BDBM6409 N-(3-chlorophenyl)-6-(5-{[3-(morpholin-4-yl)propyl]amino}pyridin-3-yl)pyrazin-2-amine::N-[5-[6-[(3-Chlorophenyl)amino]pyrazinyl]-3-pyridinyl]-4-morpholinepropanamine::Pyrazine-Pyridine Biheteroaryl 52

SMILES: Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCOCC3)c2)c1

InChI Key: InChIKey=ILIYEHQBHWMGTJ-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 6409   
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
VEGFR-2 (KDR)


(Rattus norvegicus (rat))
BDBM6409
PNG
(N-(3-chlorophenyl)-6-(5-{[3-(morpholin-4-yl)propyl...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCOCC3)c2)c1
Show InChI InChI=1S/C22H25ClN6O/c23-18-3-1-4-19(12-18)27-22-16-25-15-21(28-22)17-11-20(14-24-13-17)26-5-2-6-29-7-9-30-10-8-29/h1,3-4,11-16,26H,2,5-10H2,(H,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM6409
PNG
(N-(3-chlorophenyl)-6-(5-{[3-(morpholin-4-yl)propyl...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCOCC3)c2)c1
Show InChI InChI=1S/C22H25ClN6O/c23-18-3-1-4-19(12-18)27-22-16-25-15-21(28-22)17-11-20(14-24-13-17)26-5-2-6-29-7-9-30-10-8-29/h1,3-4,11-16,26H,2,5-10H2,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair