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BDBM139601 US8889870, 147::US9820989, 147

SMILES: Cc1ccc(cc1N1CCc2nc(N)ncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=TVTINSXYADVJDH-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 139601   
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))
BDBM139601
PNG
(US8889870, 147 | US9820989, 147)
Show SMILES Cc1ccc(cc1N1CCc2nc(N)ncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O/c1-13-5-6-14(20(31)28-17-4-2-3-16(10-17)22(23,24)25)9-19(13)30-8-7-18-15(12-30)11-27-21(26)29-18/h2-6,9-11H,7-8,12H2,1H3,(H,28,31)(H2,26,27,29)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
8n/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))
BDBM139601
PNG
(US8889870, 147 | US9820989, 147)
Show SMILES Cc1ccc(cc1N1CCc2nc(N)ncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O/c1-13-5-6-14(20(31)28-17-4-2-3-16(10-17)22(23,24)25)9-19(13)30-8-7-18-15(12-30)11-27-21(26)29-18/h2-6,9-11H,7-8,12H2,1H3,(H,28,31)(H2,26,27,29)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
20n/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))
BDBM139601
PNG
(US8889870, 147 | US9820989, 147)
Show SMILES Cc1ccc(cc1N1CCc2nc(N)ncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O/c1-13-5-6-14(20(31)28-17-4-2-3-16(10-17)22(23,24)25)9-19(13)30-8-7-18-15(12-30)11-27-21(26)29-18/h2-6,9-11H,7-8,12H2,1H3,(H,28,31)(H2,26,27,29)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 8n/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))
BDBM139601
PNG
(US8889870, 147 | US9820989, 147)
Show SMILES Cc1ccc(cc1N1CCc2nc(N)ncc2C1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H20F3N5O/c1-13-5-6-14(20(31)28-17-4-2-3-16(10-17)22(23,24)25)9-19(13)30-8-7-18-15(12-30)11-27-21(26)29-18/h2-6,9-11H,7-8,12H2,1H3,(H,28,31)(H2,26,27,29)
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 20n/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