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BDBM202409 US9238644, 16

SMILES: CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1

InChI Key: InChIKey=KSIYIAJUQCMDOR-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 = 202409   
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))
BDBM202409
PNG
(US9238644, 16)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C27H31ClN6O/c1-34-14-10-19(11-15-34)23-9-7-20(16-30-23)32-26-31-17-22(28)24(33-26)8-6-18-4-2-3-5-21(18)27(12-13-27)25(29)35/h2-5,7,9,16-17,19H,6,8,10-15H2,1H3,(H2,29,35)(H,31,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 46n/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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202409
PNG
(US9238644, 16)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C27H31ClN6O/c1-34-14-10-19(11-15-34)23-9-7-20(16-30-23)32-26-31-17-22(28)24(33-26)8-6-18-4-2-3-5-21(18)27(12-13-27)25(29)35/h2-5,7,9,16-17,19H,6,8,10-15H2,1H3,(H2,29,35)(H,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 4n/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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM202409
PNG
(US9238644, 16)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
Show InChI InChI=1S/C27H31ClN6O/c1-34-14-10-19(11-15-34)23-9-7-20(16-30-23)32-26-31-17-22(28)24(33-26)8-6-18-4-2-3-5-21(18)27(12-13-27)25(29)35/h2-5,7,9,16-17,19H,6,8,10-15H2,1H3,(H2,29,35)(H,31,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/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