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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [L858R]' and Ligand = 'BDBM270540'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor [L858R]


(Homo sapiens (Human))
BDBM270540
PNG
(N-(3-(5-chloro-4-(2-(2- (dimethylamino)-2-oxoacety...)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1
Show InChI InChI=1S/C24H23ClN6O4/c1-5-20(32)27-14-10-11-19(35-4)18(12-14)29-24-26-13-16(25)22(30-24)28-17-9-7-6-8-15(17)21(33)23(34)31(2)3/h5-13H,1H2,2-4H3,(H,27,32)(H2,26,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



BETTA PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
Kinase Assay Protocol:Bar-coded Corning, low volume NBS, black 384-well plate (Corning Cat. #4514)1. 2.5 μL—4× Test Compound or 100 nL 100×...


US Patent US9783524 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WCB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor [L858R]


(Homo sapiens (Human))
BDBM270540
PNG
(N-(3-(5-chloro-4-(2-(2- (dimethylamino)-2-oxoacety...)
Show SMILES COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(Nc2ccccc2C(=O)C(=O)N(C)C)n1
Show InChI InChI=1S/C24H23ClN6O4/c1-5-20(32)27-14-10-11-19(35-4)18(12-14)29-24-26-13-16(25)22(30-24)28-17-9-7-6-8-15(17)21(33)23(34)31(2)3/h5-13H,1H2,2-4H3,(H,27,32)(H2,26,28,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



BETTA PHARMACEUTICALS CO., LTD.

US Patent


Assay Description
TBD


US Patent US10059688 (2018)


BindingDB Entry DOI: 10.7270/Q2PV6NDZ
More data for this
Ligand-Target Pair