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BDBM139568 US8889870, 37::US9388176, 37::US9820989, 37

SMILES: Cc1cccc(NC(=O)c2cccc(n2)N2CCc3nc(N)ncc3C2)c1

InChI Key: InChIKey=HWKAPMIRTDYTGK-UHFFFAOYSA-N

Data: 2 KI  4 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 = 139568   
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 (KDR)


(Homo sapiens (Human))
BDBM139568
PNG
(US8889870, 37 | US9388176, 37 | US9820989, 37)
Show SMILES Cc1cccc(NC(=O)c2cccc(n2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C20H20N6O/c1-13-4-2-5-15(10-13)23-19(27)17-6-3-7-18(24-17)26-9-8-16-14(12-26)11-22-20(21)25-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,27)(H2,21,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139568
PNG
(US8889870, 37 | US9388176, 37 | US9820989, 37)
Show SMILES Cc1cccc(NC(=O)c2cccc(n2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C20H20N6O/c1-13-4-2-5-15(10-13)23-19(27)17-6-3-7-18(24-17)26-9-8-16-14(12-26)11-22-20(21)25-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,27)(H2,21,22,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM139568
PNG
(US8889870, 37 | US9388176, 37 | US9820989, 37)
Show SMILES Cc1cccc(NC(=O)c2cccc(n2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C20H20N6O/c1-13-4-2-5-15(10-13)23-19(27)17-6-3-7-18(24-17)26-9-8-16-14(12-26)11-22-20(21)25-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,27)(H2,21,22,25)
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n/an/a>1.00E+4n/an/an/an/a7.430



ALLERGAN, INC.

US Patent


Assay Description
Biochemical PDGFRβ kinase assays were performed in 96 well microliter plates that were coated overnight with 75 μg of poly-Glu-Tyr (4:1) in 1...


US Patent US9388176 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60DZ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM139568
PNG
(US8889870, 37 | US9388176, 37 | US9820989, 37)
Show SMILES Cc1cccc(NC(=O)c2cccc(n2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C20H20N6O/c1-13-4-2-5-15(10-13)23-19(27)17-6-3-7-18(24-17)26-9-8-16-14(12-26)11-22-20(21)25-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,27)(H2,21,22,25)
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n/an/a>1.00E+4n/an/an/an/a7.4n/a



Allergan, Inc.

US Patent


Assay Description
Biochemical PDGFR.beta. kinase assays were performed in 96 well microtiter plates that were coated overnight with 75 .mu.g of poly-Glu-Tyr (4:1) in 1...


US Patent US8889870 (2014)


BindingDB Entry DOI: 10.7270/Q25B0158
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM139568
PNG
(US8889870, 37 | US9388176, 37 | US9820989, 37)
Show SMILES Cc1cccc(NC(=O)c2cccc(n2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C20H20N6O/c1-13-4-2-5-15(10-13)23-19(27)17-6-3-7-18(24-17)26-9-8-16-14(12-26)11-22-20(21)25-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,27)(H2,21,22,25)
PDB
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US Patent
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Allergan, Inc.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microliter plates that were coated overnight with 75 .mu.g/well of poly-Glu-Tyr (4:1) in 10 m...


US Patent US8889870 (2014)


BindingDB Entry DOI: 10.7270/Q25B0158
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM139568
PNG
(US8889870, 37 | US9388176, 37 | US9820989, 37)
Show SMILES Cc1cccc(NC(=O)c2cccc(n2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C20H20N6O/c1-13-4-2-5-15(10-13)23-19(27)17-6-3-7-18(24-17)26-9-8-16-14(12-26)11-22-20(21)25-16/h2-7,10-11H,8-9,12H2,1H3,(H,23,27)(H2,21,22,25)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a7.430



ALLERGAN, INC.

US Patent


Assay Description
Biochemical KDR kinase assays were performed in 96 well microliter plates that were coated overnight with 75 μg/well of poly-Glu-Tyr (4:1) in 10 m...


US Patent US9388176 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60DZ
More data for this
Ligand-Target Pair