new BindingDB logo
myBDB logout

BDBM139557 US8889870, 17::US9388176, 17::US9820989, 17

SMILES: CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1

InChI Key: InChIKey=GOISTNHYSIHLLD-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 = 139557   
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))
BDBM139557
PNG
(US8889870, 17 | US9388176, 17 | US9820989, 17)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1 |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-2.31,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,)|
Show InChI InChI=1S/C24H33N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-6,13-14,18-19H,7-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
246n/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))
BDBM139557
PNG
(US8889870, 17 | US9388176, 17 | US9820989, 17)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1 |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-2.31,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,)|
Show InChI InChI=1S/C24H33N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-6,13-14,18-19H,7-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
307n/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))
BDBM139557
PNG
(US8889870, 17 | US9388176, 17 | US9820989, 17)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1 |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-2.31,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,)|
Show InChI InChI=1S/C24H33N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-6,13-14,18-19H,7-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 246n/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))
BDBM139557
PNG
(US8889870, 17 | US9388176, 17 | US9820989, 17)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1 |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-2.31,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,)|
Show InChI InChI=1S/C24H33N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-6,13-14,18-19H,7-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 246n/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))
BDBM139557
PNG
(US8889870, 17 | US9388176, 17 | US9820989, 17)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1 |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-2.31,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,)|
Show InChI InChI=1S/C24H33N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-6,13-14,18-19H,7-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 307n/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))
BDBM139557
PNG
(US8889870, 17 | US9388176, 17 | US9820989, 17)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)c1cccc(c1)N1CCc2nc(N)ncc2C1 |(9.34,-.77,;8,-1.54,;8,-3.08,;9.34,-2.31,;6.67,-.77,;5.33,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;2.67,1.54,;1.33,.77,;1.33,-.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,;-4,.77,;-5.33,1.54,;-6.67,.77,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-9.34,-3.85,;-6.67,-3.85,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,)|
Show InChI InChI=1S/C24H33N5O/c1-24(2,3)18-7-9-19(10-8-18)27-22(30)16-5-4-6-20(13-16)29-12-11-21-17(15-29)14-26-23(25)28-21/h4-6,13-14,18-19H,7-12,15H2,1-3H3,(H,27,30)(H2,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 307n/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