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BDBM139621 US8889870, 169::US9388176, 169::US9820989, 169

SMILES: COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C

InChI Key: InChIKey=HTJCJGPUYPCIIH-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 = 139621   
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))
BDBM139621
PNG
(US8889870, 169 | US9388176, 169 | US9820989, 169)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C26H27N3O3/c1-17(2)18-6-4-8-21(12-18)28-25(30)19-7-5-9-22(13-19)29-11-10-23-20(16-29)14-27-15-24(23)26(31)32-3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,28,30)
PDB
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PC sid
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US Patent
12n/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))
BDBM139621
PNG
(US8889870, 169 | US9388176, 169 | US9820989, 169)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C26H27N3O3/c1-17(2)18-6-4-8-21(12-18)28-25(30)19-7-5-9-22(13-19)29-11-10-23-20(16-29)14-27-15-24(23)26(31)32-3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,28,30)
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15n/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))
BDBM139621
PNG
(US8889870, 169 | US9388176, 169 | US9820989, 169)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C26H27N3O3/c1-17(2)18-6-4-8-21(12-18)28-25(30)19-7-5-9-22(13-19)29-11-10-23-20(16-29)14-27-15-24(23)26(31)32-3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,28,30)
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US Patent
n/an/a 15n/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))
BDBM139621
PNG
(US8889870, 169 | US9388176, 169 | US9820989, 169)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C26H27N3O3/c1-17(2)18-6-4-8-21(12-18)28-25(30)19-7-5-9-22(13-19)29-11-10-23-20(16-29)14-27-15-24(23)26(31)32-3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,28,30)
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n/an/a 15n/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))
BDBM139621
PNG
(US8889870, 169 | US9388176, 169 | US9820989, 169)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C26H27N3O3/c1-17(2)18-6-4-8-21(12-18)28-25(30)19-7-5-9-22(13-19)29-11-10-23-20(16-29)14-27-15-24(23)26(31)32-3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,28,30)
PDB
MMDB

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PC sid
UniChem
US Patent
n/an/a 12n/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))
BDBM139621
PNG
(US8889870, 169 | US9388176, 169 | US9820989, 169)
Show SMILES COC(=O)c1cncc2CN(CCc12)c1cccc(c1)C(=O)Nc1cccc(c1)C(C)C
Show InChI InChI=1S/C26H27N3O3/c1-17(2)18-6-4-8-21(12-18)28-25(30)19-7-5-9-22(13-19)29-11-10-23-20(16-29)14-27-15-24(23)26(31)32-3/h4-9,12-15,17H,10-11,16H2,1-3H3,(H,28,30)
PDB
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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