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SMILES: CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(=O)NCCCN2CCCC2)c1

InChI Key: InChIKey=IWMWSMNALZILSU-UHFFFAOYSA-N

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 = 139627   
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))
BDBM139627
PNG
(US8889870, 175 | US9388176, 175 | US9820989, 175)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C32H39N5O2/c1-23(2)24-8-5-10-27(18-24)35-31(38)25-9-6-11-28(19-25)37-17-12-29-26(22-37)20-33-21-30(29)32(39)34-13-7-16-36-14-3-4-15-36/h5-6,8-11,18-21,23H,3-4,7,12-17,22H2,1-2H3,(H,34,39)(H,35,38)
PDB
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PC sid
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Similars

US Patent
230n/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)


BindingDB Entry DOI: 10.7270/Q2TT4T6G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM139627
PNG
(US8889870, 175 | US9388176, 175 | US9820989, 175)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C32H39N5O2/c1-23(2)24-8-5-10-27(18-24)35-31(38)25-9-6-11-28(19-25)37-17-12-29-26(22-37)20-33-21-30(29)32(39)34-13-7-16-36-14-3-4-15-36/h5-6,8-11,18-21,23H,3-4,7,12-17,22H2,1-2H3,(H,34,39)(H,35,38)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 230n/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))
BDBM139627
PNG
(US8889870, 175 | US9388176, 175 | US9820989, 175)
Show SMILES CC(C)c1cccc(NC(=O)c2cccc(c2)N2CCc3c(C2)cncc3C(=O)NCCCN2CCCC2)c1
Show InChI InChI=1S/C32H39N5O2/c1-23(2)24-8-5-10-27(18-24)35-31(38)25-9-6-11-28(19-25)37-17-12-29-26(22-37)20-33-21-30(29)32(39)34-13-7-16-36-14-3-4-15-36/h5-6,8-11,18-21,23H,3-4,7,12-17,22H2,1-2H3,(H,34,39)(H,35,38)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 230n/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