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BDBM139618 US8889870, 166::US9388176, 166::US9820989, 166

SMILES: Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1

InChI Key: InChIKey=HMQWFQHVYCBHFE-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 = 139618   
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
Platelet-derived growth factor receptor beta (PDGFR beta)


(Homo sapiens (Human))
BDBM139618
PNG
(US8889870, 166 | US9388176, 166 | US9820989, 166)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-21-6-7-22(17(2)13-21)27-11-9-18-8-10-24-14-19(18)15-27/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,25,26,28)
PDB
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PC sid
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US Patent
36n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent




US Patent US9820989 (2017)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (KDR)


(Homo sapiens (Human))
BDBM139618
PNG
(US8889870, 166 | US9388176, 166 | US9820989, 166)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-21-6-7-22(17(2)13-21)27-11-9-18-8-10-24-14-19(18)15-27/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,25,26,28)
PDB
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US Patent
308n/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))
BDBM139618
PNG
(US8889870, 166 | US9388176, 166 | US9820989, 166)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-21-6-7-22(17(2)13-21)27-11-9-18-8-10-24-14-19(18)15-27/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,25,26,28)
PDB
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PC cid
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UniChem
US Patent
n/an/a 36n/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))
BDBM139618
PNG
(US8889870, 166 | US9388176, 166 | US9820989, 166)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-21-6-7-22(17(2)13-21)27-11-9-18-8-10-24-14-19(18)15-27/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,25,26,28)
PDB
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US Patent
n/an/a 36n/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))
BDBM139618
PNG
(US8889870, 166 | US9388176, 166 | US9820989, 166)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-21-6-7-22(17(2)13-21)27-11-9-18-8-10-24-14-19(18)15-27/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,25,26,28)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 308n/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))
BDBM139618
PNG
(US8889870, 166 | US9388176, 166 | US9820989, 166)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1
Show InChI InChI=1S/C23H24N4O/c1-16-4-3-5-20(12-16)25-23(28)26-21-6-7-22(17(2)13-21)27-11-9-18-8-10-24-14-19(18)15-27/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,25,26,28)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 308n/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