new BindingDB logo
myBDB logout

BDBM8072 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8c::3,5-dimethyl-4-{2-[(4-methyl-3-nitrophenyl)amino]pyrimidin-4-yl}-1H-pyrrole-2-carbonitrile

SMILES: Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1

InChI Key: InChIKey=VAIKGIPWMFDXHE-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 = 8072   
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))
BDBM8072
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8c ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
Show InChI InChI=1S/C18H16N6O2/c1-10-4-5-13(8-16(10)24(25)26)22-18-20-7-6-14(23-18)17-11(2)15(9-19)21-12(17)3/h4-8,21H,1-3H3,(H,20,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
50 -10.1n/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))
BDBM8072
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8c ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
Show InChI InChI=1S/C18H16N6O2/c1-10-4-5-13(8-16(10)24(25)26)22-18-20-7-6-14(23-18)17-11(2)15(9-19)21-12(17)3/h4-8,21H,1-3H3,(H,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
180 -9.35n/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