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BDBM139576 US8889870, 55::US9388176, 55::US9820989, 55

SMILES: Nc1ncc2CN(CCc2n1)c1cc(ccn1)C(=O)Nc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=PCOXRQNTONLGFF-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 139576   
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


(Homo sapiens (Human))
BDBM139576
PNG
(US8889870, 55 | US9388176, 55 | US9820989, 55)
Show SMILES Nc1ncc2CN(CCc2n1)c1cc(ccn1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)14-2-1-3-15(9-14)27-18(30)12-4-6-25-17(8-12)29-7-5-16-13(11-29)10-26-19(24)28-16/h1-4,6,8-10H,5,7,11H2,(H,27,30)(H2,24,26,28)
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PC sid
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Similars

Article
US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



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...


US Patent US9820989 (2017)


Article DOI: 10.1021/jm051187d
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM139576
PNG
(US8889870, 55 | US9388176, 55 | US9820989, 55)
Show SMILES Nc1ncc2CN(CCc2n1)c1cc(ccn1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)14-2-1-3-15(9-14)27-18(30)12-4-6-25-17(8-12)29-7-5-16-13(11-29)10-26-19(24)28-16/h1-4,6,8-10H,5,7,11H2,(H,27,30)(H2,24,26,28)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/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


(Homo sapiens (Human))
BDBM139576
PNG
(US8889870, 55 | US9388176, 55 | US9820989, 55)
Show SMILES Nc1ncc2CN(CCc2n1)c1cc(ccn1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)14-2-1-3-15(9-14)27-18(30)12-4-6-25-17(8-12)29-7-5-16-13(11-29)10-26-19(24)28-16/h1-4,6,8-10H,5,7,11H2,(H,27,30)(H2,24,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/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