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BDBM202401 US9238644, 8

SMILES: CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cc1

InChI Key: InChIKey=VDXARSHJPFZWJT-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 202401   
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))
BDBM202401
PNG
(US9238644, 8)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cc1
Show InChI InChI=1S/C28H32ClN5O/c1-34-16-12-20(13-17-34)19-6-9-22(10-7-19)32-27-31-18-24(29)25(33-27)11-8-21-4-2-3-5-23(21)28(14-15-28)26(30)35/h2-7,9-10,18,20H,8,11-17H2,1H3,(H2,30,35)(H,31,32,33)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 897n/an/an/an/a7.237



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
Adult human umbilical vein endothelial cells (HUVEC) (Cat# CC-2519, Lonza) were seeded into clear-bottom, TC treated 12 well plates (Cat #665180, G...


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202401
PNG
(US9238644, 8)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cc1
Show InChI InChI=1S/C28H32ClN5O/c1-34-16-12-20(13-17-34)19-6-9-22(10-7-19)32-27-31-18-24(29)25(33-27)11-8-21-4-2-3-5-23(21)28(14-15-28)26(30)35/h2-7,9-10,18,20H,8,11-17H2,1H3,(H2,30,35)(H,31,32,33)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/a7.237



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
Adult human dermal lymphatic microvascular endothelial cells (HMVEC-dLyAD) (Cat# CC-2810, Lonza) were seeded into clear-bottom, TC treated 12 well pl...


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202401
PNG
(US9238644, 8)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cc1
Show InChI InChI=1S/C28H32ClN5O/c1-34-16-12-20(13-17-34)19-6-9-22(10-7-19)32-27-31-18-24(29)25(33-27)11-8-21-4-2-3-5-23(21)28(14-15-28)26(30)35/h2-7,9-10,18,20H,8,11-17H2,1H3,(H2,30,35)(H,31,32,33)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/a7.4n/a



CANCER THERAPEUTICS CRC PTY LIMITED

US Patent


Assay Description
A biotin labelled peptide is used as substrate (amino acid sequence: Biotin-Glu-Gly-Pro-Trp-Leu-Glu-Glu-Glu-Glu-Glu-Ala-Tyr-Gly-Trp-Met-Asp-Phe-NH2)....


US Patent US9238644 (2016)


BindingDB Entry DOI: 10.7270/Q2JM28FP
More data for this
Ligand-Target Pair