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BDBM2544 US8507510, 1.23::US8507510, 1.41

SMILES: COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O

InChI Key: InChIKey=VEMUNZLIOXAWMA-VQLJPOJZSA-N

Data: 6 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 6 hits for monomerid = 2544   
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))
BDBM2544
PNG
(US8507510, 1.23 | US8507510, 1.41)
Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1
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US Patent
n/an/a 2n/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))
BDBM2544
PNG
(US8507510, 1.23 | US8507510, 1.41)
Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1
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US Patent
n/an/a 2n/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))
BDBM2544
PNG
(US8507510, 1.23 | US8507510, 1.41)
Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1
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US Patent
n/an/a 75n/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 2


(Homo sapiens (Human))
BDBM2544
PNG
(US8507510, 1.23 | US8507510, 1.41)
Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1
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US Patent
n/an/a 6n/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))
BDBM2544
PNG
(US8507510, 1.23 | US8507510, 1.41)
Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1
PDB

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US Patent
n/an/a 8n/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))
BDBM2544
PNG
(US8507510, 1.23 | US8507510, 1.41)
Show SMILES COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
Show InChI InChI=1S/C17H24BrN5O3S/c1-10(17(2,3)24)21-15-12(18)9-20-16(23-15)22-11-6-7-14(27(5,19)25)13(8-11)26-4/h6-10,19,24H,1-5H3,(H2,20,21,22,23)/t10-,27?/m1/s1
PDB
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KEGG

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B.MOAD
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PC sid
UniChem

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US Patent
n/an/a 76n/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