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BDBM121390 US8722890, 5

SMILES: COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1

InChI Key: InChIKey=BRTHUECZMVKNMQ-FQEVSTJZSA-N

Data: 9 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 9 hits for monomerid = 121390   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
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n/an/a 1.83n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
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n/an/a 1.45n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
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n/an/a 1.34n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
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n/an/a 1.22n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assays (200 μL final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microt...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
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n/an/a 28.9n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
To determine Aurora B activity of representative compounds of the invention, Active Aurora B enzyme (recombinant residues 1-344) and INCENP (recombin...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
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n/an/a 570n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
To determine Aurora A and C activity of representative compounds of the invention, Active Aurora A or C enzyme was incubated in wells of a 384 well p...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Assays (200 μL final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microt...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM121390
PNG
(US8722890, 5)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1
Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1
UniProtKB/SwissProt

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Similars

n/an/a 12.6n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...


US Patent US8722890 (2014)


BindingDB Entry DOI: 10.7270/Q21Z4327
More data for this
Ligand-Target Pair