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BDBM100883 US8507510, 1.10

SMILES: C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(=NS(=O)(=O)CC[Si](C)(C)C)C2CCCC2)ncc1Br)C(C)(C)O

InChI Key: InChIKey=FSTHQQCZUGMTKG-RPLKYZAMSA-N

Data: 3 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 3 hits for monomerid = 100883   
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))
BDBM100883
PNG
(US8507510, 1.10)
Show SMILES C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(=NS(=O)(=O)CC[Si](C)(C)C)C2CCCC2)ncc1Br)C(C)(C)O |r|
Show InChI InChI=1S/C25H40BrN5O4S2Si/c1-18(25(2,3)32)28-23-22(26)17-27-24(30-23)29-19-11-13-21(14-12-19)37(35,20-9-7-8-10-20)31-36(33,34)15-16-38(4,5)6/h11-14,17-18,20,32H,7-10,15-16H2,1-6H3,(H2,27,28,29,30)/t18-,37?/m1/s1
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US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Kinase assay using either CDK1, CDK2 or VEGFR-2.


US Patent US8507510 (2013)


BindingDB Entry DOI: 10.7270/Q2V69H76
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM100883
PNG
(US8507510, 1.10)
Show SMILES C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(=NS(=O)(=O)CC[Si](C)(C)C)C2CCCC2)ncc1Br)C(C)(C)O |r|
Show InChI InChI=1S/C25H40BrN5O4S2Si/c1-18(25(2,3)32)28-23-22(26)17-27-24(30-23)29-19-11-13-21(14-12-19)37(35,20-9-7-8-10-20)31-36(33,34)15-16-38(4,5)6/h11-14,17-18,20,32H,7-10,15-16H2,1-6H3,(H2,27,28,29,30)/t18-,37?/m1/s1
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antibodypedia
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PC sid
UniChem

Similars

US Patent
n/an/a 910n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Kinase assay using either CDK1, CDK2 or VEGFR-2.


US Patent US8507510 (2013)


BindingDB Entry DOI: 10.7270/Q2V69H76
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM100883
PNG
(US8507510, 1.10)
Show SMILES C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(=NS(=O)(=O)CC[Si](C)(C)C)C2CCCC2)ncc1Br)C(C)(C)O |r|
Show InChI InChI=1S/C25H40BrN5O4S2Si/c1-18(25(2,3)32)28-23-22(26)17-27-24(30-23)29-19-11-13-21(14-12-19)37(35,20-9-7-8-10-20)31-36(33,34)15-16-38(4,5)6/h11-14,17-18,20,32H,7-10,15-16H2,1-6H3,(H2,27,28,29,30)/t18-,37?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
Kinase assay using either CDK1, CDK2 or VEGFR-2.


US Patent US8507510 (2013)


BindingDB Entry DOI: 10.7270/Q2V69H76
More data for this
Ligand-Target Pair