new BindingDB logo
myBDB logout

BDBM50274743 CHEMBL458547::N-(2-methoxyethyl)-4-(4-(1,2,4-trimethyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzenesulfonamide

SMILES: COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc(C)n2C)cc1

InChI Key: InChIKey=LGCAIPXMWBZXAJ-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 = 50274743   
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
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50274743
PNG
(CHEMBL458547 | N-(2-methoxyethyl)-4-(4-(1,2,4-trim...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc(C)n2C)cc1
Show InChI InChI=1S/C19H24N6O3S/c1-13-18(25(3)14(2)22-13)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(26,27)21-11-12-28-4/h5-10,21H,11-12H2,1-4H3,(H,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274743
PNG
(CHEMBL458547 | N-(2-methoxyethyl)-4-(4-(1,2,4-trim...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc(C)n2C)cc1
Show InChI InChI=1S/C19H24N6O3S/c1-13-18(25(3)14(2)22-13)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(26,27)21-11-12-28-4/h5-10,21H,11-12H2,1-4H3,(H,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair