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BDBM8076 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8g::4-{2-[(4-fluoro-3-methylphenyl)amino]pyrimidin-4-yl}-3,5-dimethyl-1H-pyrrole-2-carbonitrile

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

InChI Key: InChIKey=REMZNTHJUDSMFB-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 = 8076   
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))
BDBM8076
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8g ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(F)c(C)c2)n1
Show InChI InChI=1S/C18H16FN5/c1-10-8-13(4-5-14(10)19)23-18-21-7-6-15(24-18)17-11(2)16(9-20)22-12(17)3/h4-8,22H,1-3H3,(H,21,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
90 -9.77n/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))
BDBM8076
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8g ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(F)c(C)c2)n1
Show InChI InChI=1S/C18H16FN5/c1-10-8-13(4-5-14(10)19)23-18-21-7-6-15(24-18)17-11(2)16(9-20)22-12(17)3/h4-8,22H,1-3H3,(H,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
300 -9.04n/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