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BDBM105234 US8580782, 1

SMILES: Brc1cnn2c(NCc3ccncc3)cc(nc12)-c1ccccc1

InChI Key: InChIKey=JECHSYMSTXETFI-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 105234   
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 2


(Homo sapiens (Human))
BDBM105234
PNG
(US8580782, 1)
Show SMILES Brc1cnn2c(NCc3ccncc3)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-6-8-20-9-7-13)10-16(23-18(15)24)14-4-2-1-3-5-14/h1-10,12,21H,11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
US Patent
n/an/a 29n/an/an/an/a8.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).


US Patent US8580782 (2013)


BindingDB Entry DOI: 10.7270/Q2VM49WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM105234
PNG
(US8580782, 1)
Show SMILES Brc1cnn2c(NCc3ccncc3)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-6-8-20-9-7-13)10-16(23-18(15)24)14-4-2-1-3-5-14/h1-10,12,21H,11H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
US Patent
n/an/a 20n/an/an/an/a8.0n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).


US Patent US8580782 (2013)


BindingDB Entry DOI: 10.7270/Q2VM49WG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)