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BDBM245575 US9428508, 30

SMILES: COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2NC(C)=O)n1)N1CCOCC1

InChI Key: InChIKey=LUMOGDSPGPWXNQ-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 245575   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
PTK2B protein tyrosine kinase 2 beta (PTK2B)


(Homo sapiens (Human))
BDBM245575
PNG
(US9428508, 30)
Show SMILES COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2NC(C)=O)n1)N1CCOCC1
Show InChI InChI=1S/C26H31N7O3/c1-16-15-27-24-23(16)25(29-20-7-5-4-6-19(20)28-17(2)34)32-26(31-24)30-21-9-8-18(14-22(21)35-3)33-10-12-36-13-11-33/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,34)(H3,27,29,30,31,32)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<200n/an/an/an/an/an/a



Centaurus BioPharma Co., Ltd

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...


US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM245575
PNG
(US9428508, 30)
Show SMILES COc1cc(ccc1Nc1nc2NCC(C)c2c(Nc2ccccc2NC(C)=O)n1)N1CCOCC1
Show InChI InChI=1S/C26H31N7O3/c1-16-15-27-24-23(16)25(29-20-7-5-4-6-19(20)28-17(2)34)32-26(31-24)30-21-9-8-18(14-22(21)35-3)33-10-12-36-13-11-33/h4-9,14,16H,10-13,15H2,1-3H3,(H,28,34)(H3,27,29,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<200n/an/an/an/an/an/a



Centaurus BioPharma Co., Ltd

US Patent


Assay Description
To measure inhibitory activity of FAK/PYK2 inhibitors, compounds were first prepare as a 1 mM stock in 100% DMSO and 3-fold serial dilution was perfo...


US Patent US9428508 (2016)


BindingDB Entry DOI: 10.7270/Q2BR8R3S
More data for this
Ligand-Target Pair