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BDBM139580 US8889870, 83::US9388176, 83::US9820989, 83

SMILES: CC(C)c1ccc(NC(=O)c2cc(ccn2)N2Cc3cnc(N)nc3C2)cc1

InChI Key: InChIKey=YOQLOLVNZFYKFH-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 = 139580   
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))
BDBM139580
PNG
(US8889870, 83 | US9388176, 83 | US9820989, 83)
Show SMILES CC(C)c1ccc(NC(=O)c2cc(ccn2)N2Cc3cnc(N)nc3C2)cc1
Show InChI InChI=1S/C21H22N6O/c1-13(2)14-3-5-16(6-4-14)25-20(28)18-9-17(7-8-23-18)27-11-15-10-24-21(22)26-19(15)12-27/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H2,22,24,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+4n/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))
BDBM139580
PNG
(US8889870, 83 | US9388176, 83 | US9820989, 83)
Show SMILES CC(C)c1ccc(NC(=O)c2cc(ccn2)N2Cc3cnc(N)nc3C2)cc1
Show InChI InChI=1S/C21H22N6O/c1-13(2)14-3-5-16(6-4-14)25-20(28)18-9-17(7-8-23-18)27-11-15-10-24-21(22)26-19(15)12-27/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H2,22,24,26)
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>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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM139580
PNG
(US8889870, 83 | US9388176, 83 | US9820989, 83)
Show SMILES CC(C)c1ccc(NC(=O)c2cc(ccn2)N2Cc3cnc(N)nc3C2)cc1
Show InChI InChI=1S/C21H22N6O/c1-13(2)14-3-5-16(6-4-14)25-20(28)18-9-17(7-8-23-18)27-11-15-10-24-21(22)26-19(15)12-27/h3-10,13H,11-12H2,1-2H3,(H,25,28)(H2,22,24,26)
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>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