new BindingDB logo
myBDB logout

BDBM8079 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8j::4-(2,4-dimethyl-5-nitro-1H-pyrrol-3-yl)-N-(4-fluorophenyl)pyrimidin-2-amine

SMILES: Cc1[nH]c(c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1)N(=O)=O

InChI Key: InChIKey=IJIHKBKIAXXWCC-UHFFFAOYSA-N

Data: 2 KI

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 = 8079   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM8079
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8j ...)
Show SMILES Cc1[nH]c(c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1)N(=O)=O
Show InChI InChI=1S/C16H14FN5O2/c1-9-14(10(2)19-15(9)22(23)24)13-7-8-18-16(21-13)20-12-5-3-11(17)4-6-12/h3-8,19H,1-2H3,(H,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
30 -10.4n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8079
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8j ...)
Show SMILES Cc1[nH]c(c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1)N(=O)=O
Show InChI InChI=1S/C16H14FN5O2/c1-9-14(10(2)19-15(9)22(23)24)13-7-8-18-16(21-13)20-12-5-3-11(17)4-6-12/h3-8,19H,1-2H3,(H,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
120 -9.59n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair