new BindingDB logo
myBDB logout

BDBM59093 Aminopyrimidine, 3

SMILES: CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CNC(C)=O)c2)n1

InChI Key: InChIKey=KAYOLUCDHCQCAT-UHFFFAOYSA-N

Data: 2 IC50

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 = 59093   
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
G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM59093
PNG
(Aminopyrimidine, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CNC(C)=O)c2)n1
Show InChI InChI=1S/C18H20N6OS/c1-11-16(26-18(19-3)22-11)15-7-8-20-17(24-15)23-14-6-4-5-13(9-14)10-21-12(2)25/h4-9H,10H2,1-3H3,(H,19,22)(H,21,25)(H,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Chem Biol 11: 525-34 (2004)


Article DOI: 10.1016/j.chembiol.2004.03.022
BindingDB Entry DOI: 10.7270/Q2Q23XP3
More data for this
Ligand-Target Pair
G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM59093
PNG
(Aminopyrimidine, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CNC(C)=O)c2)n1
Show InChI InChI=1S/C18H20N6OS/c1-11-16(26-18(19-3)22-11)15-7-8-20-17(24-15)23-14-6-4-5-13(9-14)10-21-12(2)25/h4-9H,10H2,1-3H3,(H,19,22)(H,21,25)(H,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 890n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Chem Biol 11: 525-34 (2004)


Article DOI: 10.1016/j.chembiol.2004.03.022
BindingDB Entry DOI: 10.7270/Q2Q23XP3
More data for this
Ligand-Target Pair