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BDBM59096 Aminopyrimidine, 8

SMILES: Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCO)CC2)n1

InChI Key: InChIKey=LSMLQSVRCZEVOL-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 = 59096   
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))
BDBM59096
PNG
(Aminopyrimidine, 8)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCO)CC2)n1
Show InChI InChI=1S/C21H26N6OS/c1-15-20(29-16(2)23-15)19-7-8-22-21(25-19)24-17-3-5-18(6-4-17)27-11-9-26(10-12-27)13-14-28/h3-8,28H,9-14H2,1-2H3,(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/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))
BDBM59096
PNG
(Aminopyrimidine, 8)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCO)CC2)n1
Show InChI InChI=1S/C21H26N6OS/c1-15-20(29-16(2)23-15)19-7-8-22-21(25-19)24-17-3-5-18(6-4-17)27-11-9-26(10-12-27)13-14-28/h3-8,28H,9-14H2,1-2H3,(H,22,24,25)
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 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