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BDBM50169893 3-{5-[4-(4-Morpholin-4-yl-phenylamino)-[1,3,5]triazin-2-yl]-pyridin-3-ylamino}-propan-1-ol::CHEMBL191377

SMILES: OCCCNc1cncc(c1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1

InChI Key: InChIKey=RITLUZRZBLXNNE-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50169893   
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
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50169893
PNG
(3-{5-[4-(4-Morpholin-4-yl-phenylamino)-[1,3,5]tria...)
Show SMILES OCCCNc1cncc(c1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C21H25N7O2/c29-9-1-6-23-18-12-16(13-22-14-18)20-24-15-25-21(27-20)26-17-2-4-19(5-3-17)28-7-10-30-11-8-28/h2-5,12-15,23,29H,1,6-11H2,(H,24,25,26,27)
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Similars

Article
PubMed
n/an/a 1.24E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of cyclin dependent kinase (CDK1)


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50169893
PNG
(3-{5-[4-(4-Morpholin-4-yl-phenylamino)-[1,3,5]tria...)
Show SMILES OCCCNc1cncc(c1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C21H25N7O2/c29-9-1-6-23-18-12-16(13-22-14-18)20-24-15-25-21(27-20)26-17-2-4-19(5-3-17)28-7-10-30-11-8-28/h2-5,12-15,23,29H,1,6-11H2,(H,24,25,26,27)
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.03E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 2


J Med Chem 48: 4535-46 (2005)


Article DOI: 10.1021/jm040214h
BindingDB Entry DOI: 10.7270/Q2833RK0
More data for this
Ligand-Target Pair