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BDBM139549 US8889870, 9::US9388176, 9::US9820989, 9

SMILES: CCc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1

InChI Key: InChIKey=VHFZLHTWZZWIPV-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 139549   
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))
BDBM139549
PNG
(US8889870, 9 | US9388176, 9 | US9820989, 9)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C22H23N5O/c1-2-15-5-3-7-18(11-15)25-21(28)16-6-4-8-19(12-16)27-10-9-20-17(14-27)13-24-22(23)26-20/h3-8,11-13H,2,9-10,14H2,1H3,(H,25,28)(H2,23,24,26)
PDB
MMDB

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US Patent
22n/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))
BDBM139549
PNG
(US8889870, 9 | US9388176, 9 | US9820989, 9)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C22H23N5O/c1-2-15-5-3-7-18(11-15)25-21(28)16-6-4-8-19(12-16)27-10-9-20-17(14-27)13-24-22(23)26-20/h3-8,11-13H,2,9-10,14H2,1H3,(H,25,28)(H2,23,24,26)
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52n/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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM139549
PNG
(US8889870, 9 | US9388176, 9 | US9820989, 9)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C22H23N5O/c1-2-15-5-3-7-18(11-15)25-21(28)16-6-4-8-19(12-16)27-10-9-20-17(14-27)13-24-22(23)26-20/h3-8,11-13H,2,9-10,14H2,1H3,(H,25,28)(H2,23,24,26)
PDB
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US Patent
n/an/a 22n/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM139549
PNG
(US8889870, 9 | US9388176, 9 | US9820989, 9)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C22H23N5O/c1-2-15-5-3-7-18(11-15)25-21(28)16-6-4-8-19(12-16)27-10-9-20-17(14-27)13-24-22(23)26-20/h3-8,11-13H,2,9-10,14H2,1H3,(H,25,28)(H2,23,24,26)
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n/an/a 22n/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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM139549
PNG
(US8889870, 9 | US9388176, 9 | US9820989, 9)
Show SMILES CCc1cccc(NC(=O)c2cccc(c2)N2CCc3nc(N)ncc3C2)c1
Show InChI InChI=1S/C22H23N5O/c1-2-15-5-3-7-18(11-15)25-21(28)16-6-4-8-19(12-16)27-10-9-20-17(14-27)13-24-22(23)26-20/h3-8,11-13H,2,9-10,14H2,1H3,(H,25,28)(H2,23,24,26)
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 52n/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