BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50154937   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/CycE


(Homo sapiens (Human))
BDBM50154937
PNG
(CHEMBL518800)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1
PDB

GoogleScholar
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154937
PNG
(CHEMBL518800)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 225n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Sus scrofa)
BDBM50154937
PNG
(CHEMBL518800)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1
PDB

GoogleScholar
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Universite Paris-Descartes

Curated by ChEMBL


Assay Description
Inhibition of pig brain GSK3alpha/beta


J Med Chem 51: 5229-42 (2008)

More data for this
Ligand-Target Pair